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

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 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'}

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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 (CID 159615734) 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is 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.

What is the InChIKey of 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?

The InChIKey is MNGITYQLEDUFDN-DUVPAXNBSA-N. The full InChI is 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-;;.

What are the key properties of 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 has a molecular weight of 2096.05 g/mol, XLogP of 24.00, 11 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 159615734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).