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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: 6-[4-[(1S)-1-hydroxyethyl]phenoxy]-3,4-dihydro-1H-quinolin-2-one 6-[4-[(1S)-1-hydroxyethyl]phenox…

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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) 2.92 4.71 -9.45 2 4 0 59 283.327 3 ↓

Analogs

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Popular Name: 6-[4-[(1R)-1-hydroxyethyl]phenoxy]-3,4-dihydro-1H-quinolin-2-one 6-[4-[(1R)-1-hydroxyethyl]phenox…

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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) 2.92 4.67 -9.21 2 4 0 59 283.327 3 ↓

Analogs

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Popular Name: 6-[2-(aminomethyl)-4-chloro-phenoxy]-3,4-dihydro-1H-quinolin-2-one 6-[2-(aminomethyl)-4-chloro-phen…

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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) 3.15 5.09 -50.66 4 4 1 66 303.769 3 ↓
Mid Mid (pH 6-8) 3.15 4.68 -7.88 3 4 0 64 302.761 3 ↓

Analogs

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Popular Name: 5-chloro-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]benzonitrile 5-chloro-2-[(2-oxo-3,4-dihydro-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) 3.72 7.43 -10.68 1 4 0 62 298.729 2 ↓

Analogs

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Popular Name: 2-chloro-6-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]benzonitrile 2-chloro-6-[(2-oxo-3,4-dihydro-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) 3.69 7.41 -12.91 1 4 0 62 298.729 2 ↓

Analogs

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Popular Name: 6-[4-(aminomethyl)phenoxy]-3,4-dihydro-1H-quinolin-2-one 6-[4-(aminomethyl)phenoxy]-3,4-d…

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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 4.5 -55.76 4 4 1 66 269.324 3 ↓
Hi High (pH 8-9.5) 2.54 4.1 -9.04 3 4 0 64 268.316 3 ↓

Analogs

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Popular Name: 2-chloro-6-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]benzaldehyde 2-chloro-6-[(2-oxo-3,4-dihydro-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) 3.73 6.77 -11.81 1 4 0 55 301.729 3 ↓

Analogs

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Popular Name: 7-amino-6-(2,3-difluorophenoxy)-3,4-dihydro-1H-quinolin-2-one 7-amino-6-(2,3-difluorophenoxy)-…

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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) 3.00 4.65 -11.69 3 4 0 64 290.269 2 ↓

Analogs

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Popular Name: 6-[2-(aminomethyl)-5-chloro-phenoxy]-3,4-dihydro-1H-quinolin-2-one 6-[2-(aminomethyl)-5-chloro-phen…

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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) 3.15 5.1 -52.38 4 4 1 66 303.769 3 ↓
Mid Mid (pH 6-8) 3.15 4.69 -8.44 3 4 0 64 302.761 3 ↓

Analogs

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Popular Name: 4-chloro-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]benzonitrile 4-chloro-2-[(2-oxo-3,4-dihydro-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) 3.72 7.44 -10.8 1 4 0 62 298.729 2 ↓

Analogs

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Popular Name: 6-[4-(aminomethyl)-2-chloro-phenoxy]-3,4-dihydro-1H-quinolin-2-one 6-[4-(aminomethyl)-2-chloro-phen…

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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) 3.15 5.16 -55.54 4 4 1 66 303.769 3 ↓
Hi High (pH 8-9.5) 3.15 4.76 -8.35 3 4 0 64 302.761 3 ↓

Analogs

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Popular Name: 3-chloro-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]benzonitrile 3-chloro-4-[(2-oxo-3,4-dihydro-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) 3.72 7.5 -10.26 1 4 0 62 298.729 2 ↓

Analogs

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Popular Name: 7-amino-6-(3,5-difluorophenoxy)-3,4-dihydro-1H-quinolin-2-one 7-amino-6-(3,5-difluorophenoxy)-…

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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) 3.02 4.63 -7.19 3 4 0 64 290.269 2 ↓

Analogs

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Popular Name: 5-fluoro-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]benzaldehyde 5-fluoro-2-[(2-oxo-3,4-dihydro-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) 3.24 6.37 -10.8 1 4 0 55 285.274 3 ↓

Analogs

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Popular Name: 6-[4-fluoro-2-(hydroxymethyl)phenoxy]-3,4-dihydro-1H-quinolin-2-one 6-[4-fluoro-2-(hydroxymethyl)phe…

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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) 2.79 4.11 -9.68 2 4 0 59 287.29 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[2-(aminomethyl)-4-fluoro-phenoxy]-3,4-dihydro-1H-quinolin-2-one 6-[2-(aminomethyl)-4-fluoro-phen…

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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) 2.63 4.66 -51.57 4 4 1 66 287.314 3 ↓
Hi High (pH 8-9.5) 2.63 4.24 -8.32 3 4 0 64 286.306 3 ↓

Parameters Provided:

ring.id = 19824
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 = 19824 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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