C203H196Cl4FN19O25 — CID 160923082
3-chloro-N-[2-methyl-3-(4-methylidene-2-oxocyclohexyl)-4-oxoquinazolin-5-yl]benzamide;5-[4-(4-chlorophenyl)-3-oxobutyl]-2-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one;5-[4-(3,4-dichlorophenyl)-3-oxobutyl]-2-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one;5-[4-(4-fluorophenyl)-3-oxobutyl]-2-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-[4-(4-methylphenyl)-3-oxobutyl]quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-(3-oxo-4-phenylbutyl)quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-(3-oxo-3-pyridin-2-ylpropyl)quinazolin-4-one;N-[2-methyl-3-(4-methylidene-2-oxocyclohexyl)-4-oxoquinazolin-5-yl]-2-phenylmethoxyacetamide (PubChem CID 160923082) has the molecular formula C203H196Cl4FN19O25 and a molecular weight of 3462.72 g/mol. Its IUPAC name is 3-chloro-N-[2-methyl-3-(4-methylidene-2-oxocyclohexyl)-4-oxoquinazolin-5-yl]benzamide;5-[4-(4-chlorophenyl)-3-oxobutyl]-2-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one;5-[4-(3,4-dichlorophenyl)-3-oxobutyl]-2-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one;5-[4-(4-fluorophenyl)-3-oxobutyl]-2-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-[4-(4-methylphenyl)-3-oxobutyl]quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-(3-oxo-4-phenylbutyl)quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-(3-oxo-3-pyridin-2-ylpropyl)quinazolin-4-one;N-[2-methyl-3-(4-methylidene-2-oxocyclohexyl)-4-oxoquinazolin-5-yl]-2-phenylmethoxyacetamide.
| Compound Name | 3-chloro-N-[2-methyl-3-(4-methylidene-2-oxocyclohexyl)-4-oxoquinazolin-5-yl]benzamide;5-[4-(4-chlorophenyl)-3-oxobutyl]-2-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one;5-[4-(3,4-dichlorophenyl)-3-oxobutyl]-2-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one;5-[4-(4-fluorophenyl)-3-oxobutyl]-2-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-[4-(4-methylphenyl)-3-oxobutyl]quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-(3-oxo-4-phenylbutyl)quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-(3-oxo-3-pyridin-2-ylpropyl)quinazolin-4-one;N-[2-methyl-3-(4-methylidene-2-oxocyclohexyl)-4-oxoquinazolin-5-yl]-2-phenylmethoxyacetamide |
|---|---|
| PubChem CID | 160923082 |
| Molecular Formula | C203H196Cl4FN19O25 |
| Molecular Weight | 3462.72 g/mol |
| Exact Mass | 3458.34 |
| IUPAC Name | 3-chloro-N-[2-methyl-3-(4-methylidene-2-oxocyclohexyl)-4-oxoquinazolin-5-yl]benzamide;5-[4-(4-chlorophenyl)-3-oxobutyl]-2-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one;5-[4-(3,4-dichlorophenyl)-3-oxobutyl]-2-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one;5-[4-(4-fluorophenyl)-3-oxobutyl]-2-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-[4-(4-methylphenyl)-3-oxobutyl]quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-(3-oxo-4-phenylbutyl)quinazolin-4-one;2-methyl-3-(4-methylidene-2-oxocyclohexyl)-5-(3-oxo-3-pyridin-2-ylpropyl)quinazolin-4-one;N-[2-methyl-3-(4-methylidene-2-oxocyclohexyl)-4-oxoquinazolin-5-yl]-2-phenylmethoxyacetamide |
| SMILES | C=C1CCC(n2c(C)nc3cccc(CCC(=O)Cc4ccc(C)cc4)c3c2=O)C(=O)C1.C=C1CCC(n2c(C)nc3cccc(CCC(=O)Cc4ccc(Cl)c(Cl)c4)c3c2=O)C(=O)C1.C=C1CCC(n2c(C)nc3cccc(CCC(=O)Cc4ccc(Cl)cc4)c3c2=O)C(=O)C1.C=C1CCC(n2c(C)nc3cccc(CCC(=O)Cc4ccc(F)cc4)c3c2=O)C(=O)C1.C=C1CCC(n2c(C)nc3cccc(CCC(=O)Cc4ccccc4)c3c2=O)C(=O)C1.C=C1CCC(n2c(C)nc3cccc(CCC(=O)c4ccccn4)c3c2=O)C(=O)C1.C=C1CCC(n2c(C)nc3cccc(NC(=O)COCc4ccccc4)c3c2=O)C(=O)C1.C=C1CCC(n2c(C)nc3cccc(NC(=O)c4cccc(Cl)c4)c3c2=O)C(=O)C1 |
| InChI | InChI=1S/C27H28N2O3.C26H24Cl2N2O3.C26H25ClN2O3.C26H25FN2O3.C26H26N2O3.C25H25N3O4.C24H23N3O3.C23H20ClN3O3/c1-17-7-10-20(11-8-17)16-22(30)13-12-21-5-4-6-23-26(21)27(32)29(19(3)28-23)24-14-9-18(2)15-25(24)31;1-15-6-11-23(24(32)12-15)30-16(2)29-22-5-3-4-18(25(22)26(30)33)8-9-19(31)13-17-7-10-20(27)21(28)14-17;2*1-16-6-13-23(24(31)14-16)29-17(2)28-22-5-3-4-19(25(22)26(29)32)9-12-21(30)15-18-7-10-20(27)11-8-18;1-17-11-14-23(24(30)15-17)28-18(2)27-22-10-6-9-20(25(22)26(28)31)12-13-21(29)16-19-7-4-3-5-8-19;1-16-11-12-21(22(29)13-16)28-17(2)26-19-9-6-10-20(24(19)25(28)31)27-23(30)15-32-14-18-7-4-3-5-8-18;1-15-9-11-20(22(29)14-15)27-16(2)26-19-8-5-6-17(23(19)24(27)30)10-12-21(28)18-7-3-4-13-25-18;1-13-9-10-19(20(28)11-13)27-14(2)25-17-7-4-8-18(21(17)23(27)30)26-22(29)15-5-3-6-16(24)12-15/h4-8,10-11,24H,2,9,12-16H2,1,3H3;3-5,7,10,14,23H,1,6,8-9,11-13H2,2H3;2*3-5,7-8,10-11,23H,1,6,9,12-15H2,2H3;3-10,23H,1,11-16H2,2H3;3-10,21H,1,11-15H2,2H3,(H,27,30);3-8,13,20H,1,9-12,14H2,2H3;3-8,12,19H,1,9-11H2,2H3,(H,26,29) |
| InChIKey | SSGZWHPWVWBNKQ-UHFFFAOYSA-N |
| XLogP | 35.84 |
| TPSA | 598.42 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 42 |
| Rotatable Bonds | 44 |
| Heavy Atoms | 252 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3462.72 |
| LogP ≤ 5 | 35.84 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 42 |
| Structural Alerts | {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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