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

C103H91N25O9 — CID 160714063

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

8,8-dimethyl-3-(3-phenyltriazol-4-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;2,2-dimethyl-6-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)-1,3-dihydropyrrolo[2,1-b]quinazolin-9-one;3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one (PubChem CID 160714063) has the molecular formula C103H91N25O9 and a molecular weight of 1823.03 g/mol. Its IUPAC name is 8,8-dimethyl-3-(3-phenyltriazol-4-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;2,2-dimethyl-6-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)-1,3-dihydropyrrolo[2,1-b]quinazolin-9-one;3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one.

Molecular Properties

• Compound Name: 8,8-dimethyl-3-(3-phenyltriazol-4-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;2,2-dimethyl-6-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)-1,3-dihydropyrrolo[2,1-b]quinazolin-9-one;3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one
• PubChem CID: 160714063
• Molecular Formula: C103H91N25O9
• Molecular Weight: 1823.03 g/mol
• Exact Mass: 1821.74
• IUPAC Name: 8,8-dimethyl-3-(3-phenyltriazol-4-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;2,2-dimethyl-6-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)-1,3-dihydropyrrolo[2,1-b]quinazolin-9-one;3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one
• SMILES: CC1(C)CCc2nc3cc(-c4cnnn4-c4ccccc4)ccc3c(=O)n2C1.CC1(C)CCc2nc3cc(-c4nc(-c5ccccn5)no4)ccc3c(=O)n2C1.CC1(C)CCc2nc3cc(-c4nnc(-c5ccccn5)o4)ccc3c(=O)n2C1.CC1(C)Cc2nc3cc(-c4nnc(-c5ccccn5)o4)ccc3c(=O)n2C1.O=c1c2ccc(-c3nnc(-c4ccccn4)o3)cc2nc2n1CCCC2
• InChI: InChI=1S/C22H21N5O.2C21H19N5O2.C20H17N5O2.C19H15N5O2/c1-22(2)11-10-20-24-18-12-15(8-9-17(18)21(28)26(20)14-22)19-13-23-25-27(19)16-6-4-3-5-7-16;1-21(2)9-8-17-23-16-11-13(6-7-14(16)20(27)26(17)12-21)19-24-18(25-28-19)15-5-3-4-10-22-15;1-21(2)9-8-17-23-16-11-13(6-7-14(16)20(27)26(17)12-21)18-24-25-19(28-18)15-5-3-4-10-22-15;1-20(2)10-16-22-15-9-12(6-7-13(15)19(26)25(16)11-20)17-23-24-18(27-17)14-5-3-4-8-21-14;25-19-13-8-7-12(11-15(13)21-16-6-2-4-10-24(16)19)17-22-23-18(26-17)14-5-1-3-9-20-14/h3-9,12-13H,10-11,14H2,1-2H3;2*3-7,10-11H,8-9,12H2,1-2H3;3-9H,10-11H2,1-2H3;1,3,5,7-9,11H,2,4,6,10H2
• InChIKey: RSFUHORQLXQTQM-UHFFFAOYSA-N
• XLogP: 16.51
• TPSA: 412.40 Ų
• H-Bond Acceptors: 34
• Rotatable Bonds: 10
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1823.03
LogP ≤ 5	16.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

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

The IUPAC name of 8,8-dimethyl-3-(3-phenyltriazol-4-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;2,2-dimethyl-6-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)-1,3-dihydropyrrolo[2,1-b]quinazolin-9-one;3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one (CID 160714063) is 8,8-dimethyl-3-(3-phenyltriazol-4-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;2,2-dimethyl-6-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)-1,3-dihydropyrrolo[2,1-b]quinazolin-9-one;3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one.

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

The canonical SMILES for 8,8-dimethyl-3-(3-phenyltriazol-4-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;2,2-dimethyl-6-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)-1,3-dihydropyrrolo[2,1-b]quinazolin-9-one;3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one is CC1(C)CCc2nc3cc(-c4cnnn4-c4ccccc4)ccc3c(=O)n2C1.CC1(C)CCc2nc3cc(-c4nc(-c5ccccn5)no4)ccc3c(=O)n2C1.CC1(C)CCc2nc3cc(-c4nnc(-c5ccccn5)o4)ccc3c(=O)n2C1.CC1(C)Cc2nc3cc(-c4nnc(-c5ccccn5)o4)ccc3c(=O)n2C1.O=c1c2ccc(-c3nnc(-c4ccccn4)o3)cc2nc2n1CCCC2.

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

The InChIKey is RSFUHORQLXQTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O.2C21H19N5O2.C20H17N5O2.C19H15N5O2/c1-22(2)11-10-20-24-18-12-15(8-9-17(18)21(28)26(20)14-22)19-13-23-25-27(19)16-6-4-3-5-7-16;1-21(2)9-8-17-23-16-11-13(6-7-14(16)20(27)26(17)12-21)19-24-18(25-28-19)15-5-3-4-10-22-15;1-21(2)9-8-17-23-16-11-13(6-7-14(16)20(27)26(17)12-21)18-24-25-19(28-18)15-5-3-4-10-22-15;1-20(2)10-16-22-15-9-12(6-7-13(15)19(26)25(16)11-20)17-23-24-18(27-17)14-5-3-4-8-21-14;25-19-13-8-7-12(11-15(13)21-16-6-2-4-10-24(16)19)17-22-23-18(26-17)14-5-1-3-9-20-14/h3-9,12-13H,10-11,14H2,1-2H3;2*3-7,10-11H,8-9,12H2,1-2H3;3-9H,10-11H2,1-2H3;1,3,5,7-9,11H,2,4,6,10H2.

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

8,8-dimethyl-3-(3-phenyltriazol-4-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;2,2-dimethyl-6-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)-1,3-dihydropyrrolo[2,1-b]quinazolin-9-one;3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one has a molecular weight of 1823.03 g/mol, XLogP of 16.51, 10 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 8,8-dimethyl-3-(3-phenyltriazol-4-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;2,2-dimethyl-6-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)-1,3-dihydropyrrolo[2,1-b]quinazolin-9-one;3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one is sourced from PubChem (CID 160714063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).