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Analogs

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Popular Name: 2-[ethyl-[[(2R)-tetrahydrofuran-2-yl]methyl]amino]quinoline-3-carbonitrile 2-[ethyl-[[(2R)-tetrahydrofuran-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.82 9.01 -8 0 4 0 49 281.359 4 ↓

Analogs

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Popular Name: 2-[ethyl-[[(2S)-tetrahydrofuran-2-yl]methyl]amino]quinoline-3-carbonitrile 2-[ethyl-[[(2S)-tetrahydrofuran-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.82 9.02 -8.19 0 4 0 49 281.359 4 ↓

Analogs

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Popular Name: 2-[methyl-[[(2R)-tetrahydrofuran-2-yl]methyl]amino]quinoline-3-carbonitrile 2-[methyl-[[(2R)-tetrahydrofuran…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.44 8.31 -8.49 0 4 0 49 267.332 3 ↓

Analogs

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Popular Name: 2-[methyl-[[(2S)-tetrahydrofuran-2-yl]methyl]amino]quinoline-3-carbonitrile 2-[methyl-[[(2S)-tetrahydrofuran…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.44 8.34 -8.64 0 4 0 49 267.332 3 ↓

Analogs

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Popular Name: N2-methyl-N2-[[(2S)-tetrahydrofuran-2-yl]methyl]quinoline-2,6-diamine N2-methyl-N2-[[(2S)-tetrahydrofu…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.81 5.94 -9.15 2 4 0 51 257.337 3 ↓
Mid Mid (pH 6-8) 1.81 6.09 -23.28 3 4 1 53 258.345 3 ↓

Analogs

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Popular Name: N2-methyl-N2-[[(2R)-tetrahydrofuran-2-yl]methyl]quinoline-2,6-diamine N2-methyl-N2-[[(2R)-tetrahydrofu…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.81 5.72 -7.77 2 4 0 51 257.337 3 ↓
Mid Mid (pH 6-8) 1.81 6.05 -24.55 3 4 1 53 258.345 3 ↓

Analogs

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Popular Name: 2-[methyl-[[(2S)-tetrahydrofuran-2-yl]methyl]amino]quinoline-3-carbaldehyde 2-[methyl-[[(2S)-tetrahydrofuran…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.48 7.84 -9.93 0 4 0 42 270.332 4 ↓

Analogs

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Popular Name: 2-[methyl-[[(2R)-tetrahydrofuran-2-yl]methyl]amino]quinoline-3-carbaldehyde 2-[methyl-[[(2R)-tetrahydrofuran…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.48 7.82 -9.08 0 4 0 42 270.332 4 ↓

Analogs

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Popular Name: 2-[methyl-[[(2S)-tetrahydrofuran-2-yl]methyl]amino]quinoline-3-carboxylic 2-[methyl-[[(2S)-tetrahydrofuran…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.26 9.43 -33.36 1 5 0 67 286.331 4 ↓
Mid Mid (pH 6-8) 2.26 8.92 -52.96 0 5 -1 65 285.323 4 ↓

Analogs

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Popular Name: 2-[methyl-[[(2R)-tetrahydrofuran-2-yl]methyl]amino]quinoline-3-carboxylic 2-[methyl-[[(2R)-tetrahydrofuran…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.26 9.26 -34.04 1 5 0 67 286.331 4 ↓
Mid Mid (pH 6-8) 2.26 8.82 -51.29 0 5 -1 65 285.323 4 ↓

Analogs

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Popular Name: [2-[methyl-[[(2S)-tetrahydrofuran-2-yl]methyl]amino]-3-quinolyl]methanol [2-[methyl-[[(2S)-tetrahydrofura…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.03 5.45 -10.32 1 4 0 46 272.348 4 ↓
Mid Mid (pH 6-8) 2.03 5.94 -21.53 2 4 1 47 273.356 4 ↓

Analogs

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Popular Name: [2-[methyl-[[(2R)-tetrahydrofuran-2-yl]methyl]amino]-3-quinolyl]methanol [2-[methyl-[[(2R)-tetrahydrofura…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.03 5.42 -9.6 1 4 0 46 272.348 4 ↓
Mid Mid (pH 6-8) 2.03 5.87 -22.7 2 4 1 47 273.356 4 ↓

Analogs

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Popular Name: 3-(chloromethyl)-N-methyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]quinolin-2-amine 3-(chloromethyl)-N-methyl-N-[[(2…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.26 9.41 -8.78 0 3 0 25 290.794 4 ↓
Mid Mid (pH 6-8) 3.26 9.9 -22.53 1 3 1 27 291.802 4 ↓

Analogs

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Popular Name: 3-(chloromethyl)-N-methyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]quinolin-2-amine 3-(chloromethyl)-N-methyl-N-[[(2…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.26 9.35 -8.18 0 3 0 25 290.794 4 ↓
Mid Mid (pH 6-8) 3.26 9.79 -23.61 1 3 1 27 291.802 4 ↓

Analogs

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Popular Name: N-methyl-3-(methylaminomethyl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]quinolin-2-amine N-methyl-3-(methylaminomethyl)-N…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.25 7.81 -47.18 2 4 1 42 286.399 5 ↓
Hi High (pH 8-9.5) 2.25 6.93 -8.13 1 4 0 37 285.391 5 ↓
Mid Mid (pH 6-8) 2.25 8.25 -94.14 3 4 2 43 287.407 5 ↓

Analogs

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Popular Name: N-methyl-3-(methylaminomethyl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]quinolin-2-amine N-methyl-3-(methylaminomethyl)-N…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.25 7.92 -47.22 2 4 1 42 286.399 5 ↓
Hi High (pH 8-9.5) 2.25 6.82 -8.32 1 4 0 37 285.391 5 ↓
Mid Mid (pH 6-8) 2.25 8.42 -92.45 3 4 2 43 287.407 5 ↓

Analogs

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Popular Name: 3-(aminomethyl)-N-methyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]quinolin-2-amine 3-(aminomethyl)-N-methyl-N-[[(2S…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.87 6.09 -53.91 3 4 1 53 272.372 4 ↓
Hi High (pH 8-9.5) 1.87 5.68 -8.83 2 4 0 51 271.364 4 ↓
Mid Mid (pH 6-8) 1.87 6.64 -99.58 4 4 2 54 273.38 4 ↓

Analogs

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Popular Name: 3-(aminomethyl)-N-methyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]quinolin-2-amine 3-(aminomethyl)-N-methyl-N-[[(2R…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.87 5.94 -54.23 3 4 1 53 272.372 4 ↓
Hi High (pH 8-9.5) 1.87 5.52 -8.08 2 4 0 51 271.364 4 ↓
Mid Mid (pH 6-8) 1.87 6.42 -101.83 4 4 2 54 273.38 4 ↓

Analogs

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Popular Name: 2-[methyl-[[(2S)-tetrahydrofuran-2-yl]methyl]amino]quinoline-4-carboxylic 2-[methyl-[[(2S)-tetrahydrofuran…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.56 8.69 -43.44 1 5 0 67 286.331 4 ↓
Mid Mid (pH 6-8) 2.56 8.56 -53.02 0 5 -1 65 285.323 4 ↓

Analogs

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Popular Name: 2-[methyl-[[(2R)-tetrahydrofuran-2-yl]methyl]amino]quinoline-4-carboxylic 2-[methyl-[[(2R)-tetrahydrofuran…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.56 8.64 -38.32 1 5 0 67 286.331 4 ↓
Mid Mid (pH 6-8) 2.56 8.32 -50.69 0 5 -1 65 285.323 4 ↓

Analogs

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Popular Name: N2-ethyl-N2-[[(2S)-tetrahydrofuran-2-yl]methyl]quinoline-2,6-diamine N2-ethyl-N2-[[(2S)-tetrahydrofur…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.19 6.85 -8.77 2 4 0 51 271.364 4 ↓
Mid Mid (pH 6-8) 2.19 7.03 -22.57 3 4 1 53 272.372 4 ↓

Analogs

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Popular Name: N2-ethyl-N2-[[(2R)-tetrahydrofuran-2-yl]methyl]quinoline-2,6-diamine N2-ethyl-N2-[[(2R)-tetrahydrofur…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.19 6.63 -7.39 2 4 0 51 271.364 4 ↓
Mid Mid (pH 6-8) 2.19 6.98 -23.96 3 4 1 53 272.372 4 ↓

Analogs

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Popular Name: 2-[ethyl-[[(2S)-tetrahydrofuran-2-yl]methyl]amino]quinoline-3-carbaldehyde 2-[ethyl-[[(2S)-tetrahydrofuran-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.86 8.58 -9.53 0 4 0 42 284.359 5 ↓

Analogs

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Popular Name: 2-[ethyl-[[(2R)-tetrahydrofuran-2-yl]methyl]amino]quinoline-3-carbaldehyde 2-[ethyl-[[(2R)-tetrahydrofuran-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.86 8.56 -8.73 0 4 0 42 284.359 5 ↓

Analogs

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Popular Name: [2-[ethyl-[[(2S)-tetrahydrofuran-2-yl]methyl]amino]-3-quinolyl]methanol [2-[ethyl-[[(2S)-tetrahydrofuran…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.40 6.06 -10.27 1 4 0 46 286.375 5 ↓
Mid Mid (pH 6-8) 2.40 6.59 -21.3 2 4 1 47 287.383 5 ↓

Analogs

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Popular Name: [2-[ethyl-[[(2R)-tetrahydrofuran-2-yl]methyl]amino]-3-quinolyl]methanol [2-[ethyl-[[(2R)-tetrahydrofuran…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.40 6.03 -9.48 1 4 0 46 286.375 5 ↓
Mid Mid (pH 6-8) 2.40 6.49 -22.37 2 4 1 47 287.383 5 ↓

Analogs

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Popular Name: 3-(chloromethyl)-N-ethyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]quinolin-2-amine 3-(chloromethyl)-N-ethyl-N-[[(2S…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.64 9.96 -8.5 0 3 0 25 304.821 5 ↓
Mid Mid (pH 6-8) 3.64 10.45 -22.15 1 3 1 27 305.829 5 ↓

Analogs

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Popular Name: 3-(chloromethyl)-N-ethyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]quinolin-2-amine 3-(chloromethyl)-N-ethyl-N-[[(2R…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.64 9.91 -7.96 0 3 0 25 304.821 5 ↓
Mid Mid (pH 6-8) 3.64 10.4 -23.15 1 3 1 27 305.829 5 ↓

Analogs

42424522
42424522
42424523
42424523

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Popular Name: 4-(chloromethyl)-N-ethyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]quinolin-2-amine 4-(chloromethyl)-N-ethyl-N-[[(2S…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.94 10.13 -8.57 0 3 0 25 304.821 5 ↓
Mid Mid (pH 6-8) 3.94 10.46 -23.77 1 3 1 27 305.829 5 ↓

Analogs

42424522
42424522
42424523
42424523

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Popular Name: 4-(chloromethyl)-N-ethyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]quinolin-2-amine 4-(chloromethyl)-N-ethyl-N-[[(2R…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.94 9.91 -7.09 0 3 0 25 304.821 5 ↓
Mid Mid (pH 6-8) 3.94 10.29 -25.22 1 3 1 27 305.829 5 ↓

Analogs

42825142
42825142
42825145
42825145

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Popular Name: 2-[[(2S)-tetrahydrofuran-2-yl]methylamino]quinoline-4-carboxylic 2-[[(2S)-tetrahydrofuran-2-yl]me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.32 6.53 -38.93 2 5 0 76 272.304 4 ↓
Mid Mid (pH 6-8) 2.32 6.09 -48.84 1 5 -1 74 271.296 4 ↓

Analogs

42825142
42825142
42825145
42825145

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Popular Name: 2-[[(2R)-tetrahydrofuran-2-yl]methylamino]quinoline-4-carboxylic 2-[[(2R)-tetrahydrofuran-2-yl]me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.32 6.55 -38.97 2 5 0 76 272.304 4 ↓
Mid Mid (pH 6-8) 2.32 6.12 -48.79 1 5 -1 74 271.296 4 ↓

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 541564 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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