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

C22H25N3O — CID 71112621

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

8,8-dimethyl-3-(2-pyridin-2-ylpropyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one (PubChem CID 71112621) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 8,8-dimethyl-3-(2-pyridin-2-ylpropyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one.

Molecular Properties

• Compound Name: 8,8-dimethyl-3-(2-pyridin-2-ylpropyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
• PubChem CID: 71112621
• Molecular Formula: C22H25N3O
• Molecular Weight: 347.46 g/mol
• Exact Mass: 347.20
• IUPAC Name: 8,8-dimethyl-3-(2-pyridin-2-ylpropyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
• SMILES: CC(Cc1ccc2c(=O)n3c(nc2c1)CCC(C)(C)C3)c1ccccn1
• InChI: InChI=1S/C22H25N3O/c1-15(18-6-4-5-11-23-18)12-16-7-8-17-19(13-16)24-20-9-10-22(2,3)14-25(20)21(17)26/h4-8,11,13,15H,9-10,12,14H2,1-3H3
• InChIKey: NXBNNDMYSMLPDX-UHFFFAOYSA-N
• XLogP: 4.11
• TPSA: 47.78 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.46
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-3-(2-pyridin-2-ylpropyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one?

The IUPAC name of 8,8-dimethyl-3-(2-pyridin-2-ylpropyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one (CID 71112621) is 8,8-dimethyl-3-(2-pyridin-2-ylpropyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one.

What is the SMILES notation for 8,8-dimethyl-3-(2-pyridin-2-ylpropyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one?

The canonical SMILES for 8,8-dimethyl-3-(2-pyridin-2-ylpropyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one is CC(Cc1ccc2c(=O)n3c(nc2c1)CCC(C)(C)C3)c1ccccn1.

What is the InChIKey of 8,8-dimethyl-3-(2-pyridin-2-ylpropyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one?

The InChIKey is NXBNNDMYSMLPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-15(18-6-4-5-11-23-18)12-16-7-8-17-19(13-16)24-20-9-10-22(2,3)14-25(20)21(17)26/h4-8,11,13,15H,9-10,12,14H2,1-3H3.

What are the key properties of 8,8-dimethyl-3-(2-pyridin-2-ylpropyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one?

8,8-dimethyl-3-(2-pyridin-2-ylpropyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one has a molecular weight of 347.46 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8,8-dimethyl-3-(2-pyridin-2-ylpropyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one is sourced from PubChem (CID 71112621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).