3-[(Z)-2-chloro-2-pyridin-2-ylethenyl]-8,8-dimethyl-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;bis(8,8-dimethyl-11-oxo-N-phenyl-7,9-dihydro-6H-pyrido[2,1-b]quinazoline-3-carboxamide);7,7-dimethyl-11-oxo-N-pyridin-2-yl-8,9-dihydro-6H-pyrido[2,1-b]quinazoline-3-carboxamide;8,8-dimethyl-11-oxo-N-pyridin-2-yl-7,9-dihydro-6H-pyrido[2,1-b]quinazoline-3-carboxamide;8,8-dimethyl-3-(pyridin-2-ylmethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one

C145H146ClN23O12 — CID 157492178

About 3-[(Z)-2-chloro-2-pyridin-2-ylethenyl]-8,8-dimethyl-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;bis(8,8-dimethyl-11-oxo-N-phenyl-7,9-dihydro-6H-pyrido[2,1-b]quinazoline-3-carboxamide);7,7-dimethyl-11-oxo-N-pyridin-2-yl-8,9-dihydro-6H-pyrido[2,1-b]quinazoline-3-carboxamide;8,8-dimethyl-11-oxo-N-pyridin-2-yl-7,9-dihydro-6H-pyrido[2,1-b]quinazoline-3-carboxamide;8,8-dimethyl-3-(pyridin-2-ylmethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one

3-[(Z)-2-chloro-2-pyridin-2-ylethenyl]-8,8-dimethyl-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;bis(8,8-dimethyl-11-oxo-N-phenyl-7,9-dihydro-6H-pyrido[2,1-b]quinazoline-3-carboxamide);7,7-dimethyl-11-oxo-N-pyridin-2-yl-8,9-dihydro-6H-pyrido[2,1-b]quinazoline-3-carboxamide;8,8-dimethyl-11-oxo-N-pyridin-2-yl-7,9-dihydro-6H-pyrido[2,1-b]quinazoline-3-carboxamide;8,8-dimethyl-3-(pyridin-2-ylmethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one (PubChem CID 157492178) has the molecular formula C145H146ClN23O12 and a molecular weight of 2438.36 g/mol. Its IUPAC name is 3-[(Z)-2-chloro-2-pyridin-2-ylethenyl]-8,8-dimethyl-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;bis(8,8-dimethyl-11-oxo-N-phenyl-7,9-dihydro-6H-pyrido[2,1-b]quinazoline-3-carboxamide);7,7-dimethyl-11-oxo-N-pyridin-2-yl-8,9-dihydro-6H-pyrido[2,1-b]quinazoline-3-carboxamide;8,8-dimethyl-11-oxo-N-pyridin-2-yl-7,9-dihydro-6H-pyrido[2,1-b]quinazoline-3-carboxamide;8,8-dimethyl-3-(pyridin-2-ylmethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one.

Molecular Properties

• Compound Name: 3-[(Z)-2-chloro-2-pyridin-2-ylethenyl]-8,8-dimethyl-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;bis(8,8-dimethyl-11-oxo-N-phenyl-7,9-dihydro-6H-pyrido[2,1-b]quinazoline-3-carboxamide);7,7-dimethyl-11-oxo-N-pyridin-2-yl-8,9-dihydro-6H-pyrido[2,1-b]quinazoline-3-carboxamide;8,8-dimethyl-11-oxo-N-pyridin-2-yl-7,9-dihydro-6H-pyrido[2,1-b]quinazoline-3-carboxamide;8,8-dimethyl-3-(pyridin-2-ylmethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
• PubChem CID: 157492178
• Molecular Formula: C145H146ClN23O12
• Molecular Weight: 2438.36 g/mol
• Exact Mass: 2436.12
• IUPAC Name: 3-[(Z)-2-chloro-2-pyridin-2-ylethenyl]-8,8-dimethyl-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;bis(8,8-dimethyl-11-oxo-N-phenyl-7,9-dihydro-6H-pyrido[2,1-b]quinazoline-3-carboxamide);7,7-dimethyl-11-oxo-N-pyridin-2-yl-8,9-dihydro-6H-pyrido[2,1-b]quinazoline-3-carboxamide;8,8-dimethyl-11-oxo-N-pyridin-2-yl-7,9-dihydro-6H-pyrido[2,1-b]quinazoline-3-carboxamide;8,8-dimethyl-3-(pyridin-2-ylmethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
• SMILES: CC1(C)CCc2nc3cc(/C=C(\Cl)c4ccccn4)ccc3c(=O)n2C1.CC1(C)CCc2nc3cc(C(=O)Nc4ccccc4)ccc3c(=O)n2C1.CC1(C)CCc2nc3cc(C(=O)Nc4ccccc4)ccc3c(=O)n2C1.CC1(C)CCc2nc3cc(C(=O)Nc4ccccn4)ccc3c(=O)n2C1.CC1(C)CCc2nc3cc(OCc4ccccn4)ccc3c(=O)n2C1.CC1(C)CCn2c(nc3cc(C(=O)Nc4ccccn4)ccc3c2=O)C1.Cc1ccc(/C=C/c2ccc3c(=O)n4c(nc3c2)CCC(C)(C)C4)nc1
• InChI: InChI=1S/C22H23N3O.C21H20ClN3O.2C21H21N3O2.2C20H20N4O2.C20H21N3O2/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;1-21(2)9-8-19-24-18-12-14(6-7-15(18)20(26)25(19)13-21)11-16(22)17-5-3-4-10-23-17;2*1-21(2)11-10-18-23-17-12-14(8-9-16(17)20(26)24(18)13-21)19(25)22-15-6-4-3-5-7-15;1-20(2)9-8-17-22-15-11-13(6-7-14(15)19(26)24(17)12-20)18(25)23-16-5-3-4-10-21-16;1-20(2)8-10-24-17(12-20)22-15-11-13(6-7-14(15)19(24)26)18(25)23-16-5-3-4-9-21-16;1-20(2)9-8-18-22-17-11-15(25-12-14-5-3-4-10-21-14)6-7-16(17)19(24)23(18)13-20/h4-9,12-13H,10-11,14H2,1-3H3;3-7,10-12H,8-9,13H2,1-2H3;2*3-9,12H,10-11,13H2,1-2H3,(H,22,25);3-7,10-11H,8-9,12H2,1-2H3,(H,21,23,25);3-7,9,11H,8,10,12H2,1-2H3,(H,21,23,25);3-7,10-11H,8-9,12-13H2,1-2H3/b8-5+;16-11-
• InChIKey: BXKIMIUFXNNIGE-LGAFAQBMSA-N
• XLogP: 25.36
• TPSA: 434.31 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 31
• Rotatable Bonds: 15
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2438.36
LogP ≤ 5	25.36
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-2-chloro-2-pyridin-2-ylethenyl]-8,8-dimethyl-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;bis(8,8-dimethyl-11-oxo-N-phenyl-7,9-dihydro-6H-pyrido[2,1-b]quinazoline-3-carboxamide);7,7-dimethyl-11-oxo-N-pyridin-2-yl-8,9-dihydro-6H-pyrido[2,1-b]quinazoline-3-carboxamide;8,8-dimethyl-11-oxo-N-pyridin-2-yl-7,9-dihydro-6H-pyrido[2,1-b]quinazoline-3-carboxamide;8,8-dimethyl-3-(pyridin-2-ylmethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one?

The IUPAC name of 3-[(Z)-2-chloro-2-pyridin-2-ylethenyl]-8,8-dimethyl-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;bis(8,8-dimethyl-11-oxo-N-phenyl-7,9-dihydro-6H-pyrido[2,1-b]quinazoline-3-carboxamide);7,7-dimethyl-11-oxo-N-pyridin-2-yl-8,9-dihydro-6H-pyrido[2,1-b]quinazoline-3-carboxamide;8,8-dimethyl-11-oxo-N-pyridin-2-yl-7,9-dihydro-6H-pyrido[2,1-b]quinazoline-3-carboxamide;8,8-dimethyl-3-(pyridin-2-ylmethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one (CID 157492178) is 3-[(Z)-2-chloro-2-pyridin-2-ylethenyl]-8,8-dimethyl-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;bis(8,8-dimethyl-11-oxo-N-phenyl-7,9-dihydro-6H-pyrido[2,1-b]quinazoline-3-carboxamide);7,7-dimethyl-11-oxo-N-pyridin-2-yl-8,9-dihydro-6H-pyrido[2,1-b]quinazoline-3-carboxamide;8,8-dimethyl-11-oxo-N-pyridin-2-yl-7,9-dihydro-6H-pyrido[2,1-b]quinazoline-3-carboxamide;8,8-dimethyl-3-(pyridin-2-ylmethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one.

What is the SMILES notation for 3-[(Z)-2-chloro-2-pyridin-2-ylethenyl]-8,8-dimethyl-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;bis(8,8-dimethyl-11-oxo-N-phenyl-7,9-dihydro-6H-pyrido[2,1-b]quinazoline-3-carboxamide);7,7-dimethyl-11-oxo-N-pyridin-2-yl-8,9-dihydro-6H-pyrido[2,1-b]quinazoline-3-carboxamide;8,8-dimethyl-11-oxo-N-pyridin-2-yl-7,9-dihydro-6H-pyrido[2,1-b]quinazoline-3-carboxamide;8,8-dimethyl-3-(pyridin-2-ylmethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one?

The canonical SMILES for 3-[(Z)-2-chloro-2-pyridin-2-ylethenyl]-8,8-dimethyl-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;bis(8,8-dimethyl-11-oxo-N-phenyl-7,9-dihydro-6H-pyrido[2,1-b]quinazoline-3-carboxamide);7,7-dimethyl-11-oxo-N-pyridin-2-yl-8,9-dihydro-6H-pyrido[2,1-b]quinazoline-3-carboxamide;8,8-dimethyl-11-oxo-N-pyridin-2-yl-7,9-dihydro-6H-pyrido[2,1-b]quinazoline-3-carboxamide;8,8-dimethyl-3-(pyridin-2-ylmethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one is CC1(C)CCc2nc3cc(/C=C(\Cl)c4ccccn4)ccc3c(=O)n2C1.CC1(C)CCc2nc3cc(C(=O)Nc4ccccc4)ccc3c(=O)n2C1.CC1(C)CCc2nc3cc(C(=O)Nc4ccccc4)ccc3c(=O)n2C1.CC1(C)CCc2nc3cc(C(=O)Nc4ccccn4)ccc3c(=O)n2C1.CC1(C)CCc2nc3cc(OCc4ccccn4)ccc3c(=O)n2C1.CC1(C)CCn2c(nc3cc(C(=O)Nc4ccccn4)ccc3c2=O)C1.Cc1ccc(/C=C/c2ccc3c(=O)n4c(nc3c2)CCC(C)(C)C4)nc1.

What is the InChIKey of 3-[(Z)-2-chloro-2-pyridin-2-ylethenyl]-8,8-dimethyl-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;bis(8,8-dimethyl-11-oxo-N-phenyl-7,9-dihydro-6H-pyrido[2,1-b]quinazoline-3-carboxamide);7,7-dimethyl-11-oxo-N-pyridin-2-yl-8,9-dihydro-6H-pyrido[2,1-b]quinazoline-3-carboxamide;8,8-dimethyl-11-oxo-N-pyridin-2-yl-7,9-dihydro-6H-pyrido[2,1-b]quinazoline-3-carboxamide;8,8-dimethyl-3-(pyridin-2-ylmethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one?

The InChIKey is BXKIMIUFXNNIGE-LGAFAQBMSA-N. The full InChI is InChI=1S/C22H23N3O.C21H20ClN3O.2C21H21N3O2.2C20H20N4O2.C20H21N3O2/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;1-21(2)9-8-19-24-18-12-14(6-7-15(18)20(26)25(19)13-21)11-16(22)17-5-3-4-10-23-17;2*1-21(2)11-10-18-23-17-12-14(8-9-16(17)20(26)24(18)13-21)19(25)22-15-6-4-3-5-7-15;1-20(2)9-8-17-22-15-11-13(6-7-14(15)19(26)24(17)12-20)18(25)23-16-5-3-4-10-21-16;1-20(2)8-10-24-17(12-20)22-15-11-13(6-7-14(15)19(24)26)18(25)23-16-5-3-4-9-21-16;1-20(2)9-8-18-22-17-11-15(25-12-14-5-3-4-10-21-14)6-7-16(17)19(24)23(18)13-20/h4-9,12-13H,10-11,14H2,1-3H3;3-7,10-12H,8-9,13H2,1-2H3;2*3-9,12H,10-11,13H2,1-2H3,(H,22,25);3-7,10-11H,8-9,12H2,1-2H3,(H,21,23,25);3-7,9,11H,8,10,12H2,1-2H3,(H,21,23,25);3-7,10-11H,8-9,12-13H2,1-2H3/b8-5+;16-11-;;;;;.

What are the key properties of 3-[(Z)-2-chloro-2-pyridin-2-ylethenyl]-8,8-dimethyl-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;bis(8,8-dimethyl-11-oxo-N-phenyl-7,9-dihydro-6H-pyrido[2,1-b]quinazoline-3-carboxamide);7,7-dimethyl-11-oxo-N-pyridin-2-yl-8,9-dihydro-6H-pyrido[2,1-b]quinazoline-3-carboxamide;8,8-dimethyl-11-oxo-N-pyridin-2-yl-7,9-dihydro-6H-pyrido[2,1-b]quinazoline-3-carboxamide;8,8-dimethyl-3-(pyridin-2-ylmethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one?

3-[(Z)-2-chloro-2-pyridin-2-ylethenyl]-8,8-dimethyl-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;bis(8,8-dimethyl-11-oxo-N-phenyl-7,9-dihydro-6H-pyrido[2,1-b]quinazoline-3-carboxamide);7,7-dimethyl-11-oxo-N-pyridin-2-yl-8,9-dihydro-6H-pyrido[2,1-b]quinazoline-3-carboxamide;8,8-dimethyl-11-oxo-N-pyridin-2-yl-7,9-dihydro-6H-pyrido[2,1-b]quinazoline-3-carboxamide;8,8-dimethyl-3-(pyridin-2-ylmethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one has a molecular weight of 2438.36 g/mol, XLogP of 25.36, 15 rotatable bonds, 4 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(Z)-2-chloro-2-pyridin-2-ylethenyl]-8,8-dimethyl-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;bis(8,8-dimethyl-11-oxo-N-phenyl-7,9-dihydro-6H-pyrido[2,1-b]quinazoline-3-carboxamide);7,7-dimethyl-11-oxo-N-pyridin-2-yl-8,9-dihydro-6H-pyrido[2,1-b]quinazoline-3-carboxamide;8,8-dimethyl-11-oxo-N-pyridin-2-yl-7,9-dihydro-6H-pyrido[2,1-b]quinazoline-3-carboxamide;8,8-dimethyl-3-(pyridin-2-ylmethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one is sourced from PubChem (CID 157492178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).