3-[(Z)-1-chloro-2-pyridin-2-ylethenyl]-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one

C21H20ClN3O — CID 71488829

About 3-[(Z)-1-chloro-2-pyridin-2-ylethenyl]-8,8-dimethyl-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 (PubChem CID 71488829) has the molecular formula C21H20ClN3O and a molecular weight of 365.86 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.

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
• PubChem CID: 71488829
• Molecular Formula: C21H20ClN3O
• Molecular Weight: 365.86 g/mol
• Exact Mass: 365.13
• IUPAC Name: 3-[(Z)-1-chloro-2-pyridin-2-ylethenyl]-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
• SMILES: CC1(C)CCc2nc3cc(/C(Cl)=C/c4ccccn4)ccc3c(=O)n2C1
• InChI: InChI=1S/C21H20ClN3O/c1-21(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/h3-7,10-12H,8-9,13H2,1-2H3/b17-12-
• InChIKey: DXRPFYBOOVYZHG-ATVHPVEESA-N
• XLogP: 4.50
• TPSA: 47.78 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.86
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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?

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 (CID 71488829) is 3-[(Z)-1-chloro-2-pyridin-2-ylethenyl]-8,8-dimethyl-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?

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 is CC1(C)CCc2nc3cc(/C(Cl)=C/c4ccccn4)ccc3c(=O)n2C1.

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?

The InChIKey is DXRPFYBOOVYZHG-ATVHPVEESA-N. The full InChI is InChI=1S/C21H20ClN3O/c1-21(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/h3-7,10-12H,8-9,13H2,1-2H3/b17-12-.

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?

3-[(Z)-1-chloro-2-pyridin-2-ylethenyl]-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one has a molecular weight of 365.86 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 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 is sourced from PubChem (CID 71488829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).