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

C124H115N19O7S4 — CID 159963959

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

8,8-dimethyl-3-[2-(4-methyl-1,3-oxazol-2-yl)ethynyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-[2-(2-methyl-4-pyridinyl)ethynyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-[2-(2-methyl-1,3-thiazol-5-yl)ethynyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethynyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-[2-(5-methyl-1,3-thiazol-2-yl)ethynyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)ethynyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one (PubChem CID 159963959) has the molecular formula C124H115N19O7S4 and a molecular weight of 2111.68 g/mol. Its IUPAC name is 8,8-dimethyl-3-[2-(4-methyl-1,3-oxazol-2-yl)ethynyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-[2-(2-methyl-4-pyridinyl)ethynyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-[2-(2-methyl-1,3-thiazol-5-yl)ethynyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethynyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-[2-(5-methyl-1,3-thiazol-2-yl)ethynyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)ethynyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one.

Molecular Properties

• Compound Name: 8,8-dimethyl-3-[2-(4-methyl-1,3-oxazol-2-yl)ethynyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-[2-(2-methyl-4-pyridinyl)ethynyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-[2-(2-methyl-1,3-thiazol-5-yl)ethynyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethynyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-[2-(5-methyl-1,3-thiazol-2-yl)ethynyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)ethynyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
• PubChem CID: 159963959
• Molecular Formula: C124H115N19O7S4
• Molecular Weight: 2111.68 g/mol
• Exact Mass: 2109.81
• IUPAC Name: 8,8-dimethyl-3-[2-(4-methyl-1,3-oxazol-2-yl)ethynyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-[2-(2-methyl-4-pyridinyl)ethynyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-[2-(2-methyl-1,3-thiazol-5-yl)ethynyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethynyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-[2-(5-methyl-1,3-thiazol-2-yl)ethynyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)ethynyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
• SMILES: CC1(C)CCc2nc3cc(C#Cc4nc5cccnc5s4)ccc3c(=O)n2C1.Cc1cc(C#Cc2ccc3c(=O)n4c(nc3c2)CCC(C)(C)C4)ccn1.Cc1cnc(C#Cc2ccc3c(=O)n4c(nc3c2)CCC(C)(C)C4)s1.Cc1coc(C#Cc2ccc3c(=O)n4c(nc3c2)CCC(C)(C)C4)n1.Cc1csc(C#Cc2ccc3c(=O)n4c(nc3c2)CCC(C)(C)C4)n1.Cc1ncc(C#Cc2ccc3c(=O)n4c(nc3c2)CCC(C)(C)C4)s1
• InChI: InChI=1S/C22H18N4OS.C22H21N3O.C20H19N3O2.3C20H19N3OS/c1-22(2)10-9-18-24-17-12-14(5-7-15(17)21(27)26(18)13-22)6-8-19-25-16-4-3-11-23-20(16)28-19;1-15-12-17(9-11-23-15)5-4-16-6-7-18-19(13-16)24-20-8-10-22(2,3)14-25(20)21(18)26;1-13-11-25-18(21-13)7-5-14-4-6-15-16(10-14)22-17-8-9-20(2,3)12-23(17)19(15)24;1-13-21-11-15(25-13)6-4-14-5-7-16-17(10-14)22-18-8-9-20(2,3)12-23(18)19(16)24;1-13-11-25-18(21-13)7-5-14-4-6-15-16(10-14)22-17-8-9-20(2,3)12-23(17)19(15)24;1-13-11-21-18(25-13)7-5-14-4-6-15-16(10-14)22-17-8-9-20(2,3)12-23(17)19(15)24/h3-5,7,11-12H,9-10,13H2,1-2H3;6-7,9,11-13H,8,10,14H2,1-3H3;4,6,10-11H,8-9,12H2,1-3H3;5,7,10-11H,8-9,12H2,1-3H3;2*4,6,10-11H,8-9,12H2,1-3H3
• InChIKey: ODRLVIGJECWZBG-UHFFFAOYSA-N
• XLogP: 20.91
• TPSA: 312.71 Ų
• H-Bond Acceptors: 30
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2111.68
LogP ≤ 5	20.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 8,8-dimethyl-3-[2-(4-methyl-1,3-oxazol-2-yl)ethynyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-[2-(2-methyl-4-pyridinyl)ethynyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-[2-(2-methyl-1,3-thiazol-5-yl)ethynyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethynyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-[2-(5-methyl-1,3-thiazol-2-yl)ethynyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)ethynyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one (CID 159963959) is 8,8-dimethyl-3-[2-(4-methyl-1,3-oxazol-2-yl)ethynyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-[2-(2-methyl-4-pyridinyl)ethynyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-[2-(2-methyl-1,3-thiazol-5-yl)ethynyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethynyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-[2-(5-methyl-1,3-thiazol-2-yl)ethynyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)ethynyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one.

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

The canonical SMILES for 8,8-dimethyl-3-[2-(4-methyl-1,3-oxazol-2-yl)ethynyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-[2-(2-methyl-4-pyridinyl)ethynyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-[2-(2-methyl-1,3-thiazol-5-yl)ethynyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethynyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-[2-(5-methyl-1,3-thiazol-2-yl)ethynyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)ethynyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one is CC1(C)CCc2nc3cc(C#Cc4nc5cccnc5s4)ccc3c(=O)n2C1.Cc1cc(C#Cc2ccc3c(=O)n4c(nc3c2)CCC(C)(C)C4)ccn1.Cc1cnc(C#Cc2ccc3c(=O)n4c(nc3c2)CCC(C)(C)C4)s1.Cc1coc(C#Cc2ccc3c(=O)n4c(nc3c2)CCC(C)(C)C4)n1.Cc1csc(C#Cc2ccc3c(=O)n4c(nc3c2)CCC(C)(C)C4)n1.Cc1ncc(C#Cc2ccc3c(=O)n4c(nc3c2)CCC(C)(C)C4)s1.

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

The InChIKey is ODRLVIGJECWZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4OS.C22H21N3O.C20H19N3O2.3C20H19N3OS/c1-22(2)10-9-18-24-17-12-14(5-7-15(17)21(27)26(18)13-22)6-8-19-25-16-4-3-11-23-20(16)28-19;1-15-12-17(9-11-23-15)5-4-16-6-7-18-19(13-16)24-20-8-10-22(2,3)14-25(20)21(18)26;1-13-11-25-18(21-13)7-5-14-4-6-15-16(10-14)22-17-8-9-20(2,3)12-23(17)19(15)24;1-13-21-11-15(25-13)6-4-14-5-7-16-17(10-14)22-18-8-9-20(2,3)12-23(18)19(16)24;1-13-11-25-18(21-13)7-5-14-4-6-15-16(10-14)22-17-8-9-20(2,3)12-23(17)19(15)24;1-13-11-21-18(25-13)7-5-14-4-6-15-16(10-14)22-17-8-9-20(2,3)12-23(17)19(15)24/h3-5,7,11-12H,9-10,13H2,1-2H3;6-7,9,11-13H,8,10,14H2,1-3H3;4,6,10-11H,8-9,12H2,1-3H3;5,7,10-11H,8-9,12H2,1-3H3;2*4,6,10-11H,8-9,12H2,1-3H3.

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

8,8-dimethyl-3-[2-(4-methyl-1,3-oxazol-2-yl)ethynyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-[2-(2-methyl-4-pyridinyl)ethynyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-[2-(2-methyl-1,3-thiazol-5-yl)ethynyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethynyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-[2-(5-methyl-1,3-thiazol-2-yl)ethynyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)ethynyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one has a molecular weight of 2111.68 g/mol, XLogP of 20.91, 0 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-(4-methyl-1,3-oxazol-2-yl)ethynyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-[2-(2-methyl-4-pyridinyl)ethynyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-[2-(2-methyl-1,3-thiazol-5-yl)ethynyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethynyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-[2-(5-methyl-1,3-thiazol-2-yl)ethynyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)ethynyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one is sourced from PubChem (CID 159963959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).