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Analogs

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Popular Name: 3-[[(3R)-3-(aminomethyl)pyrrolidin-1-yl]methyl]-6,8-dimethyl-1H-quinolin-2-one 3-[[(3R)-3-(aminomethyl)pyrrolid…

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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) 1.00 6.09 -109.13 5 4 2 65 287.407 3 ↓
Mid Mid (pH 6-8) 1.00 3.58 -51.99 4 4 1 64 286.399 3 ↓

Analogs

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Popular Name: 3-[[(3S)-3-(aminomethyl)pyrrolidin-1-yl]methyl]-6,8-dimethyl-1H-quinolin-2-one 3-[[(3S)-3-(aminomethyl)pyrrolid…

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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) 1.00 5.95 -108.14 5 4 2 65 287.407 3 ↓
Mid Mid (pH 6-8) 1.00 3.63 -51.68 4 4 1 64 286.399 3 ↓

Analogs

14884751
14884751

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Popular Name: methyl methyl

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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) 2.33 2.29 -42.82 1 5 1 53 335.811 5 ↓

Analogs

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Popular Name: 5,6,7-trimethoxy-3-(pyrrolidin-1-ylmethyl)-1H-quinolin-2-one 5,6,7-trimethoxy-3-(pyrrolidin-1…

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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) 1.40 5.89 -36.43 2 6 1 65 319.381 5 ↓

Analogs

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Popular Name: 7-methoxy-3-[[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one 7-methoxy-3-[[(3R)-3-(methoxymet…

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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) 1.41 5.53 -39.81 2 5 1 56 303.382 5 ↓

Analogs

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Popular Name: 7-methoxy-3-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one 7-methoxy-3-[[(3S)-3-(methoxymet…

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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) 1.41 5.59 -41.17 2 5 1 56 303.382 5 ↓

Analogs

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Popular Name: 3-[[(3S,4S)-3,4-bis(hydroxymethyl)pyrrolidin-1-yl]methyl]-6,7-dimethoxy-1H-quinolin-2-one 3-[[(3S,4S)-3,4-bis(hydroxymethy…

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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) -0.15 0.43 -42.75 4 7 1 96 349.407 6 ↓
Hi High (pH 8-9.5) -0.15 -2.07 -15.18 3 7 0 95 348.399 6 ↓

Analogs

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Popular Name: N-[(3R)-1-[(5,6,7-trimethoxy-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidin-3-yl]acetamide N-[(3R)-1-[(5,6,7-trimethoxy-2-o…

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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) 0.26 4.19 -47.14 3 8 1 94 376.433 6 ↓
Mid Mid (pH 6-8) 0.26 1.91 -16.95 2 8 0 93 375.425 6 ↓

Analogs

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Popular Name: N-[(3S)-1-[(5,6,7-trimethoxy-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidin-3-yl]acetamide N-[(3S)-1-[(5,6,7-trimethoxy-2-o…

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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) 0.26 4.26 -49.04 3 8 1 94 376.433 6 ↓
Mid Mid (pH 6-8) 0.26 1.88 -16.62 2 8 0 93 375.425 6 ↓

Analogs

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Popular Name: N-[[(3S)-1-[(2-hydroxy-6-methoxy-3-quinolyl)methyl]pyrrolidin-3-yl]methyl]acetamide N-[[(3S)-1-[(2-hydroxy-6-methoxy…

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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) 0.57 4.88 -48.32 3 6 1 76 330.408 5 ↓
Hi High (pH 8-9.5) 0.57 2.42 -18.57 2 6 0 74 329.4 5 ↓

Analogs

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Popular Name: N-[[(3R)-1-[(2-hydroxy-6-methoxy-3-quinolyl)methyl]pyrrolidin-3-yl]methyl]acetamide N-[[(3R)-1-[(2-hydroxy-6-methoxy…

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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) 0.57 4.85 -45.88 3 6 1 76 330.408 5 ↓
Hi High (pH 8-9.5) 0.57 2.42 -15.95 2 6 0 74 329.4 5 ↓

Analogs

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Popular Name: N-[(3R)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidin-3-yl]-N-methyl-acetamide N-[(3R)-1-[(7-methoxy-2-oxo-1H-q…

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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) 0.44 6.11 -46.44 2 6 1 67 330.408 4 ↓
Mid Mid (pH 6-8) 0.44 3.66 -15.69 1 6 0 66 329.4 4 ↓

Analogs

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Popular Name: N-[(3S)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidin-3-yl]-N-methyl-acetamide N-[(3S)-1-[(7-methoxy-2-oxo-1H-q…

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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) 0.44 6.03 -50.08 2 6 1 67 330.408 4 ↓
Mid Mid (pH 6-8) 0.44 3.62 -20.02 1 6 0 66 329.4 4 ↓

Analogs

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Popular Name: 5,6,7-trimethoxy-3-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1H-quinolin-2-one 5,6,7-trimethoxy-3-[[(2R)-2-meth…

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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) 1.73 6.58 -35.19 2 6 1 65 333.408 5 ↓

Analogs

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Popular Name: 5,6,7-trimethoxy-3-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-quinolin-2-one 5,6,7-trimethoxy-3-[[(2S)-2-meth…

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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) 1.73 6.15 -34.45 2 6 1 65 333.408 5 ↓

Analogs

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Popular Name: 3-[[(3S,4S)-3,4-bis(hydroxymethyl)pyrrolidin-1-yl]methyl]-6-ethoxy-1H-quinolin-2-one 3-[[(3S,4S)-3,4-bis(hydroxymethy…

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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) 0.64 1.43 -38.13 4 6 1 87 333.408 6 ↓
Hi High (pH 8-9.5) 0.64 -1.07 -13.01 3 6 0 86 332.4 6 ↓

Analogs

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Popular Name: (3R)-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-ethyl-pyrrolidine-3-carboxamide (3R)-1-[(6-ethoxy-2-oxo-1H-quino…

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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) 1.28 5.82 -45.63 3 6 1 76 344.435 6 ↓
Mid Mid (pH 6-8) 1.28 3.35 -19.32 2 6 0 74 343.427 6 ↓

Analogs

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Popular Name: (3S)-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-ethyl-pyrrolidine-3-carboxamide (3S)-1-[(6-ethoxy-2-oxo-1H-quino…

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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) 1.28 5.75 -41.61 3 6 1 76 344.435 6 ↓
Mid Mid (pH 6-8) 1.28 3.33 -14.97 2 6 0 74 343.427 6 ↓

Analogs

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Popular Name: (3R)-3-amino-1-[(2-hydroxy-6-methoxy-3-quinolyl)methyl]pyrrolidine-3-carboxylic (3R)-3-amino-1-[(2-hydroxy-6-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) -2.21 3.73 -76.85 5 7 1 114 318.353 4 ↓
Mid Mid (pH 6-8) -2.21 1.23 -38.44 4 7 0 113 317.345 4 ↓

Analogs

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Popular Name: (3S)-3-amino-1-[(2-hydroxy-6-methoxy-3-quinolyl)methyl]pyrrolidine-3-carboxylic (3S)-3-amino-1-[(2-hydroxy-6-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) -2.21 3.65 -87.56 5 7 1 114 318.353 4 ↓
Mid Mid (pH 6-8) -2.21 1.2 -48.82 4 7 0 113 317.345 4 ↓

Analogs

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Popular Name: 3-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-7-methoxy-1H-quinolin-2-one 3-[[(3S)-3-(dimethylamino)pyrrol…

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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) 1.07 4.62 -38.72 2 5 1 50 302.398 4 ↓
Hi High (pH 8-9.5) 1.07 2.24 -9.69 1 5 0 49 301.39 4 ↓
Mid Mid (pH 6-8) 1.07 7.01 -108.67 3 5 2 51 303.406 4 ↓

Analogs

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Popular Name: 3-[[(3S,4S)-3-hydroxy-4-isopropoxy-pyrrolidin-1-yl]methyl]-6,7-dimethoxy-1H-quinolin-2-one 3-[[(3S,4S)-3-hydroxy-4-isopropo…

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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) 0.44 3.32 -43.51 3 7 1 85 363.434 6 ↓

Analogs

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Popular Name: 3-[(3,3-difluoropyrrolidin-1-yl)methyl]-6-ethoxy-1H-quinolin-2-one 3-[(3,3-difluoropyrrolidin-1-yl)…

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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) 2.07 4.5 -8.69 1 4 0 45 308.328 4 ↓

Analogs

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Popular Name: 3-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-7-methoxy-1H-quinolin-2-one 3-[[(3S)-3-hydroxypyrrolidin-1-y…

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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) 0.41 2.61 -39.14 3 5 1 67 275.328 3 ↓

Parameters Provided:

ring.id = 33327
filter.purchasability = annotated
page.format = targets
page.num = 1

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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 = 33327 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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