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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: N-butyl-7,7-dimethyl-2,5-dioxo-1-(p-tolyl)-6,8-dihydroquinoline-3-carboxamide N-butyl-7,7-dimethyl-2,5-dioxo-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) 4.11 1.31 -15.19 1 5 0 68 380.488 5 ↓

Analogs

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Popular Name: 1-(3-fluorophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carbonitrile 1-(3-fluorophenyl)-7,7-dimethyl-…

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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) 3.14 9.33 -15.73 0 4 0 63 310.328 1 ↓

Analogs

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Popular Name: N-acetyl-7,7-dimethyl-1-(4-nitrophenyl)-2,5-dioxo-6,8-dihydroquinoline-3-carboxamide N-acetyl-7,7-dimethyl-1-(4-nitro…

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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) 1.55 9.72 -26.95 1 9 0 131 397.387 3 ↓

Analogs

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Popular Name: 1-(3,4-dimethylphenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carbonitrile 1-(3,4-dimethylphenyl)-7,7-dimet…

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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) 3.83 10.6 -15.34 0 4 0 63 320.392 1 ↓

Analogs

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Popular Name: 1-(2-fluorophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carbonitrile 1-(2-fluorophenyl)-7,7-dimethyl-…

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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 9.4 -18.03 0 4 0 63 310.328 1 ↓

Analogs

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Popular Name: 1-(2-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carbonitrile 1-(2-methoxyphenyl)-7,7-dimethyl…

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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) 3.01 8.71 -17.75 0 5 0 72 322.364 2 ↓

Analogs

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Popular Name: 1-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carbonitrile 1-(4-methoxyphenyl)-7,7-dimethyl…

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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) 2.85 8.58 -16.19 0 5 0 72 322.364 2 ↓

Analogs

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Popular Name: 1-(2-chlorophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carbonitrile 1-(2-chlorophenyl)-7,7-dimethyl-…

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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) 3.63 10.01 -16.87 0 4 0 63 326.783 1 ↓

Analogs

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Popular Name: 1-(2,3-dimethylphenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carbonitrile 1-(2,3-dimethylphenyl)-7,7-dimet…

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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) 3.80 10.97 -15.52 0 4 0 63 320.392 1 ↓

Analogs

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Popular Name: 7,7-dimethyl-1-(m-tolyl)-2,5-dioxo-6,8-dihydroquinoline-3-carbonitrile 7,7-dimethyl-1-(m-tolyl)-2,5-dio…

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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) 3.42 9.94 -15.38 0 4 0 63 306.365 1 ↓

Analogs

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Popular Name: 1-(2,5-dimethoxyphenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carbonitrile 1-(2,5-dimethoxyphenyl)-7,7-dime…

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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) 3.25 8.01 -18.15 0 6 0 81 352.39 3 ↓

Analogs

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Popular Name: 7,7-dimethyl-1-(o-tolyl)-2,5-dioxo-6,8-dihydroquinoline-3-carbonitrile 7,7-dimethyl-1-(o-tolyl)-2,5-dio…

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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) 3.40 10.19 -15.72 0 4 0 63 306.365 1 ↓

Analogs

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Popular Name: 1-(2,4-dimethoxyphenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carbonitrile 1-(2,4-dimethoxyphenyl)-7,7-dime…

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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) 3.04 8.03 -18.02 0 6 0 81 352.39 3 ↓

Analogs

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Popular Name: 1-(4-isopropylphenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carbonitrile 1-(4-isopropylphenyl)-7,7-dimeth…

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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) 4.30 11.2 -14.9 0 4 0 63 334.419 2 ↓

Analogs

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Popular Name: 7,7-dimethyl-2,5-dioxo-1-(2,4,6-trimethylphenyl)-6,8-dihydroquinoline-3-carbonitrile 7,7-dimethyl-2,5-dioxo-1-(2,4,6-…

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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) 4.41 11.9 -15.72 0 4 0 63 334.419 1 ↓

Analogs

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Popular Name: ethyl 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) 3.34 10.84 -17.55 0 6 0 89 364.401 4 ↓

Analogs

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Popular Name: N-acetyl-1-[4-(diethylamino)phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carboxamide N-acetyl-1-[4-(diethylamino)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) 2.44 11.32 -23.59 1 7 0 88 423.513 5 ↓

Analogs

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Popular Name: ethyl 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) 2.13 10.6 -26.42 1 8 0 112 424.453 5 ↓

Analogs

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Popular Name: N-formyl-1-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carboxamide N-formyl-1-(4-methoxyphenyl)-7,7…

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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) 1.67 7.64 -24.33 1 7 0 94 368.389 3 ↓

Analogs

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Popular Name: 1-(3,4-dichlorophenyl)-N-(3-dimethylaminopropyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carbo 1-(3,4-dichlorophenyl)-N-(3-dime…

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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) 4.02 1.12 -45.79 2 6 1 73 465.401 6 ↓

Parameters Provided:

ring.id = 3687
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 = 3687 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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