3-[(Z)-1-chloro-2-pyridin-2-ylethenyl]-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;7,7-dimethyl-3-[(E)-2-(4-methyl-2-pyridinyl)ethenyl]-8,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-[(E)-2-(4-methyl-2-pyridinyl)ethenyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-[(E)-2-(5-methyl-2-pyridinyl)ethenyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-[2-(4-methylpyrimidin-2-yl)ethynyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(1-pyridin-2-ylethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
C129H132ClN19O7 — CID 159615734
Data last refreshed: (MolForge compound catalog, from PubChem)
About 3-[(Z)-1-chloro-2-pyridin-2-ylethenyl]-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;7,7-dimethyl-3-[(E)-2-(4-methyl-2-pyridinyl)ethenyl]-8,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-[(E)-2-(4-methyl-2-pyridinyl)ethenyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-[(E)-2-(5-methyl-2-pyridinyl)ethenyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-[2-(4-methylpyrimidin-2-yl)ethynyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(1-pyridin-2-ylethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
3-[(Z)-1-chloro-2-pyridin-2-ylethenyl]-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;7,7-dimethyl-3-[(E)-2-(4-methyl-2-pyridinyl)ethenyl]-8,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-[(E)-2-(4-methyl-2-pyridinyl)ethenyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-[(E)-2-(5-methyl-2-pyridinyl)ethenyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-[2-(4-methylpyrimidin-2-yl)ethynyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(1-pyridin-2-ylethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one (PubChem CID 159615734) has the molecular formula C129H132ClN19O7 and a molecular weight of 2096.05 g/mol. Its IUPAC name is 3-[(Z)-1-chloro-2-pyridin-2-ylethenyl]-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;7,7-dimethyl-3-[(E)-2-(4-methyl-2-pyridinyl)ethenyl]-8,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-[(E)-2-(4-methyl-2-pyridinyl)ethenyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-[(E)-2-(5-methyl-2-pyridinyl)ethenyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-[2-(4-methylpyrimidin-2-yl)ethynyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(1-pyridin-2-ylethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one.
Molecular Properties
| Compound Name | 3-[(Z)-1-chloro-2-pyridin-2-ylethenyl]-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;7,7-dimethyl-3-[(E)-2-(4-methyl-2-pyridinyl)ethenyl]-8,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-[(E)-2-(4-methyl-2-pyridinyl)ethenyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-[(E)-2-(5-methyl-2-pyridinyl)ethenyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-[2-(4-methylpyrimidin-2-yl)ethynyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(1-pyridin-2-ylethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one |
|---|---|
| PubChem CID | 159615734 |
| Molecular Formula | C129H132ClN19O7 |
| Molecular Weight | 2096.05 g/mol |
| Exact Mass | 2094.02 |
| IUPAC Name | 3-[(Z)-1-chloro-2-pyridin-2-ylethenyl]-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;7,7-dimethyl-3-[(E)-2-(4-methyl-2-pyridinyl)ethenyl]-8,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-[(E)-2-(4-methyl-2-pyridinyl)ethenyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-[(E)-2-(5-methyl-2-pyridinyl)ethenyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-[2-(4-methylpyrimidin-2-yl)ethynyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(1-pyridin-2-ylethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one |
| SMILES | CC(Oc1ccc2c(=O)n3c(nc2c1)CCC(C)(C)C3)c1ccccn1.CC1(C)CCc2nc3cc(/C(Cl)=C/c4ccccn4)ccc3c(=O)n2C1.Cc1ccc(/C=C/c2ccc3c(=O)n4c(nc3c2)CCC(C)(C)C4)nc1.Cc1ccnc(/C=C/c2ccc3c(=O)n4c(nc3c2)CC(C)(C)CC4)c1.Cc1ccnc(/C=C/c2ccc3c(=O)n4c(nc3c2)CCC(C)(C)C4)c1.Cc1ccnc(C#Cc2ccc3c(=O)n4c(nc3c2)CCC(C)(C)C4)n1 |
| InChI | InChI=1S/3C22H23N3O.C21H20ClN3O.C21H20N4O.C21H23N3O2/c1-15-4-7-17(23-13-15)8-5-16-6-9-18-19(12-16)24-20-10-11-22(2,3)14-25(20)21(18)26;1-15-9-11-23-17(12-15)6-4-16-5-7-18-19(13-16)24-20-8-10-22(2,3)14-25(20)21(18)26;1-15-8-10-23-17(12-15)6-4-16-5-7-18-19(13-16)24-20-14-22(2,3)9-11-25(20)21(18)26;1-21(2)9-8-19-24-18-11-14(6-7-16(18)20(26)25(19)13-21)17(22)12-15-5-3-4-10-23-15;1-14-9-11-22-18(23-14)7-5-15-4-6-16-17(12-15)24-19-8-10-21(2,3)13-25(19)20(16)26;1-14(17-6-4-5-11-22-17)26-15-7-8-16-18(12-15)23-19-9-10-21(2,3)13-24(19)20(16)25/h4-9,12-13H,10-11,14H2,1-3H3;4-7,9,11-13H,8,10,14H2,1-3H3;4-8,10,12-13H,9,11,14H2,1-3H3;3-7,10-12H,8-9,13H2,1-2H3;4,6,9,11-12H,8,10,13H2,1-3H3;4-8,11-12,14H,9-10,13H2,1-3H3/b8-5+;2*6-4+;17-12-;; |
| InChIKey | MNGITYQLEDUFDN-DUVPAXNBSA-N |
| XLogP | 24.00 |
| TPSA | 308.80 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 11 |
| Heavy Atoms | 156 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2096.05 |
| LogP ≤ 5 | 24.00 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 26 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
|---|
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Sources
- PubChem CID 159615734 — identifiers, structure, computed properties (public domain)
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