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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: 4-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-quinolin-2-amine 4-(aminomethyl)-N-(cyclopropylme…

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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) 3.05 7.82 -54.26 3 3 1 44 256.373 5 ↓
Hi High (pH 8-9.5) 3.05 7.75 -22.44 3 3 1 43 256.373 5 ↓
Hi High (pH 8-9.5) 3.05 7.4 -6.87 2 3 0 42 255.365 5 ↓

Analogs

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Popular Name: N2-(cyclopropylmethyl)-N2-ethyl-quinoline-2,6-diamine N2-(cyclopropylmethyl)-N2-ethyl-…

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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) 2.68 7.78 -6.94 2 3 0 42 241.338 4 ↓
Mid Mid (pH 6-8) 2.68 8.14 -23.03 3 3 1 43 242.346 4 ↓

Analogs

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Popular Name: 2-[cyclopropylmethyl(ethyl)amino]quinoline-4-carboxamidine 2-[cyclopropylmethyl(ethyl)amino…

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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 7.75 -86.04 5 4 2 69 270.38 5 ↓

Analogs

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Popular Name: 2-[cyclopropylmethyl(ethyl)amino]quinoline-4-carbonitrile 2-[cyclopropylmethyl(ethyl)amino…

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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) 3.62 10.21 -5.62 0 3 0 40 251.333 4 ↓

Analogs

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Popular Name: 2-[cyclopropylmethyl(ethyl)amino]quinoline-3-carbaldehyde 2-[cyclopropylmethyl(ethyl)amino…

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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) 3.35 9.7 -7.32 0 3 0 33 254.333 5 ↓

Analogs

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Popular Name: 2-[cyclopropylmethyl(ethyl)amino]quinoline-4-carbothioamide 2-[cyclopropylmethyl(ethyl)amino…

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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) 3.66 9.06 -12.12 2 3 0 42 285.416 5 ↓
Mid Mid (pH 6-8) 3.66 9.42 -33.96 3 3 1 43 286.424 5 ↓

Analogs

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Popular Name: [2-[cyclopropylmethyl(ethyl)amino]-3-quinolyl]methanol [2-[cyclopropylmethyl(ethyl)amin…

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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) 2.90 7.18 -7.9 1 3 0 36 256.349 5 ↓
Mid Mid (pH 6-8) 2.90 7.66 -22.64 2 3 1 38 257.357 5 ↓

Analogs

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Popular Name: 3-(chloromethyl)-N-(cyclopropylmethyl)-N-ethyl-quinolin-2-amine 3-(chloromethyl)-N-(cyclopropylm…

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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) 4.14 11.08 -6.49 0 2 0 16 274.795 5 ↓
Mid Mid (pH 6-8) 4.14 11.56 -23.84 1 2 1 17 275.803 5 ↓

Analogs

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Popular Name: N-(cyclopropylmethyl)-N-ethyl-3-(methylaminomethyl)quinolin-2-amine N-(cyclopropylmethyl)-N-ethyl-3-…

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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) 3.12 9.69 -46.46 2 3 1 33 270.4 6 ↓
Hi High (pH 8-9.5) 3.12 8.24 -5.89 1 3 0 28 269.392 6 ↓
Mid Mid (pH 6-8) 3.12 10.16 -94.09 3 3 2 34 271.408 6 ↓

Analogs

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Popular Name: N-(cyclopropylmethyl)-N-ethyl-3-(ethylaminomethyl)quinolin-2-amine N-(cyclopropylmethyl)-N-ethyl-3-…

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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) 3.50 10.35 -42.52 2 3 1 33 284.427 7 ↓
Hi High (pH 8-9.5) 3.50 9.54 -5.69 1 3 0 28 283.419 7 ↓
Mid Mid (pH 6-8) 3.50 10.67 -90.83 3 3 2 34 285.435 7 ↓

Analogs

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Popular Name: 3-[(2R)-2-aminopropyl]-N-(cyclopropylmethyl)-N-ethyl-quinolin-2-amine 3-[(2R)-2-aminopropyl]-N-(cyclop…

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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) 2.95 9.43 -47.7 3 3 1 44 284.427 6 ↓
Lo Low (pH 4.5-6) 2.95 9.9 -95.08 4 3 2 45 285.435 6 ↓

Analogs

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Popular Name: 3-[(2S)-2-aminopropyl]-N-(cyclopropylmethyl)-N-ethyl-quinolin-2-amine 3-[(2S)-2-aminopropyl]-N-(cyclop…

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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) 2.95 9.2 -50.85 3 3 1 44 284.427 6 ↓
Lo Low (pH 4.5-6) 2.95 9.65 -96.61 4 3 2 45 285.435 6 ↓

Analogs

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Popular Name: 3-(2-aminoethyl)-N-(cyclopropylmethyl)-N-ethyl-quinolin-2-amine 3-(2-aminoethyl)-N-(cyclopropylm…

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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) 2.54 8.5 -56.34 3 3 1 44 270.4 6 ↓
Lo Low (pH 4.5-6) 2.54 8.93 -96.15 4 3 2 45 271.408 6 ↓

Analogs

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Popular Name: 2-[cyclopropylmethyl(methyl)amino]quinoline-3-carboxamidine 2-[cyclopropylmethyl(methyl)amin…

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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) 1.57 6.78 -37.85 4 4 1 68 255.345 4 ↓
Hi High (pH 8-9.5) 1.57 7.73 -8.04 3 4 0 66 254.337 4 ↓

Analogs

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Popular Name: 2-[cyclopropylmethyl(methyl)amino]-N'-hydroxy-quinoline-3-carboxamidine 2-[cyclopropylmethyl(methyl)amin…

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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) 1.50 6.68 -8.76 3 5 0 75 270.336 4 ↓
Lo Low (pH 4.5-6) 1.50 7.16 -26.63 4 5 1 76 271.344 4 ↓

Analogs

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Popular Name: 2-[[(1R)-1-cyclopropylethyl]-methyl-amino]quinoline-3-carboxamidine 2-[[(1R)-1-cyclopropylethyl]-met…

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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) 1.90 6.77 -37.57 4 4 1 68 269.372 4 ↓
Hi High (pH 8-9.5) 1.90 8.16 -7.27 3 4 0 66 268.364 4 ↓

Analogs

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Popular Name: 2-[[(1S)-1-cyclopropylethyl]-methyl-amino]quinoline-3-carboxamidine 2-[[(1S)-1-cyclopropylethyl]-met…

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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) 1.90 6.88 -36.8 4 4 1 68 269.372 4 ↓
Hi High (pH 8-9.5) 1.90 8.17 -7.84 3 4 0 66 268.364 4 ↓

Analogs

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Popular Name: 2-[[(1R)-1-cyclopropylethyl]-methyl-amino]-N'-hydroxy-quinoline-3-carboxamidine 2-[[(1R)-1-cyclopropylethyl]-met…

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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) 1.83 5.7 -8.95 3 5 0 75 284.363 4 ↓
Lo Low (pH 4.5-6) 1.83 6.28 -25.15 4 5 1 76 285.371 4 ↓

Analogs

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Popular Name: 2-[[(1S)-1-cyclopropylethyl]-methyl-amino]-N'-hydroxy-quinoline-3-carboxamidine 2-[[(1S)-1-cyclopropylethyl]-met…

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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) 1.83 5.83 -8.64 3 5 0 75 284.363 4 ↓
Lo Low (pH 4.5-6) 1.83 6.4 -25.45 4 5 1 76 285.371 4 ↓

Analogs

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Popular Name: 2-[cyclopropylmethyl(isopropyl)amino]quinoline-3-carbonitrile 2-[cyclopropylmethyl(isopropyl)a…

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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) 3.61 10.49 -6.26 0 3 0 40 265.36 4 ↓

Analogs

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Popular Name: 2-[cyclopropylmethyl(propyl)amino]quinoline-3-carbonitrile 2-[cyclopropylmethyl(propyl)amin…

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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) 3.82 10.9 -6.47 0 3 0 40 265.36 5 ↓

Analogs

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Popular Name: 2-[cyclopropylmethyl(methyl)amino]quinoline-3-carbonitrile 2-[cyclopropylmethyl(methyl)amin…

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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) 2.94 9.46 -7.01 0 3 0 40 237.306 3 ↓

Analogs

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Popular Name: 2-[[(1R)-1-cyclopropylethyl]-methyl-amino]quinoline-3-carbonitrile 2-[[(1R)-1-cyclopropylethyl]-met…

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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) 3.27 9.7 -6.72 0 3 0 40 251.333 3 ↓

Analogs

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Popular Name: 2-[[(1S)-1-cyclopropylethyl]-methyl-amino]quinoline-3-carbonitrile 2-[[(1S)-1-cyclopropylethyl]-met…

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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) 3.27 9.66 -6.84 0 3 0 40 251.333 3 ↓

Analogs

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Popular Name: 2-(cyclopropylmethylamino)quinoline-4-carboxylic 2-(cyclopropylmethylamino)quinol…

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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 7.8 -40.12 2 4 0 66 242.278 4 ↓
Mid Mid (pH 6-8) 2.82 7.35 -47.44 1 4 -1 65 241.27 4 ↓

Parameters Provided:

ring.id = 324755
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

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 = 324755 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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