8,8-dimethyl-3-(2-pyridin-2-yl-1,3-oxazol-5-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(5-pyridin-2-yl-1,3-oxazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(2-pyridin-2-yl-1,3-thiazol-5-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(5-pyridin-2-yl-1,3-thiazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one

C110H100N20O7S3 — CID 157427039

About 8,8-dimethyl-3-(2-pyridin-2-yl-1,3-oxazol-5-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(5-pyridin-2-yl-1,3-oxazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(2-pyridin-2-yl-1,3-thiazol-5-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(5-pyridin-2-yl-1,3-thiazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one

8,8-dimethyl-3-(2-pyridin-2-yl-1,3-oxazol-5-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(5-pyridin-2-yl-1,3-oxazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(2-pyridin-2-yl-1,3-thiazol-5-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(5-pyridin-2-yl-1,3-thiazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one (PubChem CID 157427039) has the molecular formula C110H100N20O7S3 and a molecular weight of 1910.34 g/mol. Its IUPAC name is 8,8-dimethyl-3-(2-pyridin-2-yl-1,3-oxazol-5-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(5-pyridin-2-yl-1,3-oxazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(2-pyridin-2-yl-1,3-thiazol-5-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(5-pyridin-2-yl-1,3-thiazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one.

Molecular Properties

• Compound Name: 8,8-dimethyl-3-(2-pyridin-2-yl-1,3-oxazol-5-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(5-pyridin-2-yl-1,3-oxazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(2-pyridin-2-yl-1,3-thiazol-5-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(5-pyridin-2-yl-1,3-thiazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
• PubChem CID: 157427039
• Molecular Formula: C110H100N20O7S3
• Molecular Weight: 1910.34 g/mol
• Exact Mass: 1908.72
• IUPAC Name: 8,8-dimethyl-3-(2-pyridin-2-yl-1,3-oxazol-5-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(5-pyridin-2-yl-1,3-oxazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(2-pyridin-2-yl-1,3-thiazol-5-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(5-pyridin-2-yl-1,3-thiazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
• SMILES: CC1(C)CCc2nc3cc(-c4cnc(-c5ccccn5)o4)ccc3c(=O)n2C1.CC1(C)CCc2nc3cc(-c4cnc(-c5ccccn5)s4)ccc3c(=O)n2C1.CC1(C)CCc2nc3cc(-c4nc(-c5ccccn5)cs4)ccc3c(=O)n2C1.CC1(C)CCc2nc3cc(-c4ncc(-c5ccccn5)o4)ccc3c(=O)n2C1.CC1(C)CCc2nc3cc(-c4ncc(-c5ccccn5)s4)ccc3c(=O)n2C1
• InChI: InChI=1S/2C22H20N4O2.3C22H20N4OS/c1-22(2)9-8-19-25-17-11-14(6-7-15(17)21(27)26(19)13-22)20-24-12-18(28-20)16-5-3-4-10-23-16;1-22(2)9-8-19-25-17-11-14(6-7-15(17)21(27)26(19)13-22)18-12-24-20(28-18)16-5-3-4-10-23-16;1-22(2)9-8-19-24-17-11-14(6-7-15(17)21(27)26(19)13-22)20-25-18(12-28-20)16-5-3-4-10-23-16;1-22(2)9-8-19-25-17-11-14(6-7-15(17)21(27)26(19)13-22)20-24-12-18(28-20)16-5-3-4-10-23-16;1-22(2)9-8-19-25-17-11-14(6-7-15(17)21(27)26(19)13-22)18-12-24-20(28-18)16-5-3-4-10-23-16/h5*3-7,10-12H,8-9,13H2,1-2H3
• InChIKey: BQBSFEPMXGYTRX-UHFFFAOYSA-N
• XLogP: 21.83
• TPSA: 329.63 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 10
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1910.34
LogP ≤ 5	21.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-3-(2-pyridin-2-yl-1,3-oxazol-5-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(5-pyridin-2-yl-1,3-oxazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(2-pyridin-2-yl-1,3-thiazol-5-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(5-pyridin-2-yl-1,3-thiazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one?

The IUPAC name of 8,8-dimethyl-3-(2-pyridin-2-yl-1,3-oxazol-5-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(5-pyridin-2-yl-1,3-oxazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(2-pyridin-2-yl-1,3-thiazol-5-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(5-pyridin-2-yl-1,3-thiazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one (CID 157427039) is 8,8-dimethyl-3-(2-pyridin-2-yl-1,3-oxazol-5-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(5-pyridin-2-yl-1,3-oxazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(2-pyridin-2-yl-1,3-thiazol-5-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(5-pyridin-2-yl-1,3-thiazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one.

What is the SMILES notation for 8,8-dimethyl-3-(2-pyridin-2-yl-1,3-oxazol-5-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(5-pyridin-2-yl-1,3-oxazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(2-pyridin-2-yl-1,3-thiazol-5-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(5-pyridin-2-yl-1,3-thiazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one?

The canonical SMILES for 8,8-dimethyl-3-(2-pyridin-2-yl-1,3-oxazol-5-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(5-pyridin-2-yl-1,3-oxazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(2-pyridin-2-yl-1,3-thiazol-5-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(5-pyridin-2-yl-1,3-thiazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one is CC1(C)CCc2nc3cc(-c4cnc(-c5ccccn5)o4)ccc3c(=O)n2C1.CC1(C)CCc2nc3cc(-c4cnc(-c5ccccn5)s4)ccc3c(=O)n2C1.CC1(C)CCc2nc3cc(-c4nc(-c5ccccn5)cs4)ccc3c(=O)n2C1.CC1(C)CCc2nc3cc(-c4ncc(-c5ccccn5)o4)ccc3c(=O)n2C1.CC1(C)CCc2nc3cc(-c4ncc(-c5ccccn5)s4)ccc3c(=O)n2C1.

What is the InChIKey of 8,8-dimethyl-3-(2-pyridin-2-yl-1,3-oxazol-5-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(5-pyridin-2-yl-1,3-oxazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(2-pyridin-2-yl-1,3-thiazol-5-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(5-pyridin-2-yl-1,3-thiazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one?

The InChIKey is BQBSFEPMXGYTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H20N4O2.3C22H20N4OS/c1-22(2)9-8-19-25-17-11-14(6-7-15(17)21(27)26(19)13-22)20-24-12-18(28-20)16-5-3-4-10-23-16;1-22(2)9-8-19-25-17-11-14(6-7-15(17)21(27)26(19)13-22)18-12-24-20(28-18)16-5-3-4-10-23-16;1-22(2)9-8-19-24-17-11-14(6-7-15(17)21(27)26(19)13-22)20-25-18(12-28-20)16-5-3-4-10-23-16;1-22(2)9-8-19-25-17-11-14(6-7-15(17)21(27)26(19)13-22)20-24-12-18(28-20)16-5-3-4-10-23-16;1-22(2)9-8-19-25-17-11-14(6-7-15(17)21(27)26(19)13-22)18-12-24-20(28-18)16-5-3-4-10-23-16/h5*3-7,10-12H,8-9,13H2,1-2H3.

What are the key properties of 8,8-dimethyl-3-(2-pyridin-2-yl-1,3-oxazol-5-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(5-pyridin-2-yl-1,3-oxazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(2-pyridin-2-yl-1,3-thiazol-5-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(5-pyridin-2-yl-1,3-thiazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one?

8,8-dimethyl-3-(2-pyridin-2-yl-1,3-oxazol-5-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(5-pyridin-2-yl-1,3-oxazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(2-pyridin-2-yl-1,3-thiazol-5-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(5-pyridin-2-yl-1,3-thiazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one has a molecular weight of 1910.34 g/mol, XLogP of 21.83, 10 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 8,8-dimethyl-3-(2-pyridin-2-yl-1,3-oxazol-5-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(5-pyridin-2-yl-1,3-oxazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(2-pyridin-2-yl-1,3-thiazol-5-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(5-pyridin-2-yl-1,3-thiazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one is sourced from PubChem (CID 157427039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).