8,8-dimethyl-3-(1-phenyltriazol-4-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-(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

C110H101N21O6S3 — CID 159802225

About 8,8-dimethyl-3-(1-phenyltriazol-4-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-(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-(1-phenyltriazol-4-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-(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 159802225) has the molecular formula C110H101N21O6S3 and a molecular weight of 1909.36 g/mol. Its IUPAC name is 8,8-dimethyl-3-(1-phenyltriazol-4-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-(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-(1-phenyltriazol-4-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-(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: 159802225
• Molecular Formula: C110H101N21O6S3
• Molecular Weight: 1909.36 g/mol
• Exact Mass: 1907.74
• IUPAC Name: 8,8-dimethyl-3-(1-phenyltriazol-4-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-(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(-c4cn(-c5ccccc5)nn4)ccc3c(=O)n2C1.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)s4)ccc3c(=O)n2C1
• InChI: InChI=1S/C22H21N5O.C22H20N4O2.3C22H20N4OS/c1-22(2)11-10-20-23-18-12-15(8-9-17(18)21(28)26(20)14-22)19-13-27(25-24-19)16-6-4-3-5-7-16;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/h3-9,12-13H,10-11,14H2,1-2H3;4*3-7,10-12H,8-9,13H2,1-2H3
• InChIKey: NJXZWAORWPJBHC-UHFFFAOYSA-N
• XLogP: 21.37
• TPSA: 321.42 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 10
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1909.36
LogP ≤ 5	21.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-3-(1-phenyltriazol-4-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-(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-(1-phenyltriazol-4-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-(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 159802225) is 8,8-dimethyl-3-(1-phenyltriazol-4-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-(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-(1-phenyltriazol-4-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-(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-(1-phenyltriazol-4-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-(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(-c4cn(-c5ccccc5)nn4)ccc3c(=O)n2C1.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)s4)ccc3c(=O)n2C1.

What is the InChIKey of 8,8-dimethyl-3-(1-phenyltriazol-4-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-(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 NJXZWAORWPJBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O.C22H20N4O2.3C22H20N4OS/c1-22(2)11-10-20-23-18-12-15(8-9-17(18)21(28)26(20)14-22)19-13-27(25-24-19)16-6-4-3-5-7-16;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/h3-9,12-13H,10-11,14H2,1-2H3;4*3-7,10-12H,8-9,13H2,1-2H3.

What are the key properties of 8,8-dimethyl-3-(1-phenyltriazol-4-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-(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-(1-phenyltriazol-4-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-(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 1909.36 g/mol, XLogP of 21.37, 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-(1-phenyltriazol-4-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-(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 159802225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).