2-(6-chloro-2,4-dioxo-1H-quinazolin-3-yl)-3-cyclohexyl-N-pyridin-2-ylpropanamide;2-(6-chloro-2,4-dioxo-1H-quinazolin-3-yl)-3,3-dicyclohexyl-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-N-pyridin-2-ylpropanamide;3-cyclohexyl-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide

C78H80Cl2F2N14O11S — CID 87858770

About 2-(6-chloro-2,4-dioxo-1H-quinazolin-3-yl)-3-cyclohexyl-N-pyridin-2-ylpropanamide;2-(6-chloro-2,4-dioxo-1H-quinazolin-3-yl)-3,3-dicyclohexyl-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-N-pyridin-2-ylpropanamide;3-cyclohexyl-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide

2-(6-chloro-2,4-dioxo-1H-quinazolin-3-yl)-3-cyclohexyl-N-pyridin-2-ylpropanamide;2-(6-chloro-2,4-dioxo-1H-quinazolin-3-yl)-3,3-dicyclohexyl-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-N-pyridin-2-ylpropanamide;3-cyclohexyl-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 87858770) has the molecular formula C78H80Cl2F2N14O11S and a molecular weight of 1530.55 g/mol. Its IUPAC name is 2-(6-chloro-2,4-dioxo-1H-quinazolin-3-yl)-3-cyclohexyl-N-pyridin-2-ylpropanamide;2-(6-chloro-2,4-dioxo-1H-quinazolin-3-yl)-3,3-dicyclohexyl-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-N-pyridin-2-ylpropanamide;3-cyclohexyl-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

• Compound Name: 2-(6-chloro-2,4-dioxo-1H-quinazolin-3-yl)-3-cyclohexyl-N-pyridin-2-ylpropanamide;2-(6-chloro-2,4-dioxo-1H-quinazolin-3-yl)-3,3-dicyclohexyl-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-N-pyridin-2-ylpropanamide;3-cyclohexyl-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide
• PubChem CID: 87858770
• Molecular Formula: C78H80Cl2F2N14O11S
• Molecular Weight: 1530.55 g/mol
• Exact Mass: 1528.52
• IUPAC Name: 2-(6-chloro-2,4-dioxo-1H-quinazolin-3-yl)-3-cyclohexyl-N-pyridin-2-ylpropanamide;2-(6-chloro-2,4-dioxo-1H-quinazolin-3-yl)-3,3-dicyclohexyl-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-N-pyridin-2-ylpropanamide;3-cyclohexyl-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide
• SMILES: O=C(Nc1ccccn1)C(C(C1CCCCC1)C1CCCCC1)(n1c(=O)[nH]c2ccc(F)cc2c1=O)n1c(=O)[nH]c2ccc(Cl)cc2c1=O.O=C(Nc1ccccn1)C(CC1CCCCC1)n1c(=O)[nH]c2ccc(Cl)cc2c1=O.O=C(Nc1nccs1)C(CC1CCCCC1)n1c(=O)[nH]c2ccc(F)cc2c1=O
• InChI: InChI=1S/C36H36ClFN6O5.C22H23ClN4O3.C20H21FN4O3S/c37-23-14-16-27-25(19-23)31(45)43(34(48)40-27)36(33(47)42-29-13-7-8-18-39-29,30(21-9-3-1-4-10-21)22-11-5-2-6-12-22)44-32(46)26-20-24(38)15-17-28(26)41-35(44)49;23-15-9-10-17-16(13-15)21(29)27(22(30)25-17)18(12-14-6-2-1-3-7-14)20(28)26-19-8-4-5-11-24-19;21-13-6-7-15-14(11-13)18(27)25(20(28)23-15)16(10-12-4-2-1-3-5-12)17(26)24-19-22-8-9-29-19/h7-8,13-22,30H,1-6,9-12H2,(H,40,48)(H,41,49)(H,39,42,47);4-5,8-11,13-14,18H,1-3,6-7,12H2,(H,25,30)(H,24,26,28);6-9,11-12,16H,1-5,10H2,(H,23,28)(H,22,24,26)
• InChIKey: RTEFMSHSAWIRMZ-UHFFFAOYSA-N
• XLogP: 12.82
• TPSA: 345.41 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 19
• Rotatable Bonds: 17
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1530.55
LogP ≤ 5	12.82
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2,4-dioxo-1H-quinazolin-3-yl)-3-cyclohexyl-N-pyridin-2-ylpropanamide;2-(6-chloro-2,4-dioxo-1H-quinazolin-3-yl)-3,3-dicyclohexyl-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-N-pyridin-2-ylpropanamide;3-cyclohexyl-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide?

The IUPAC name of 2-(6-chloro-2,4-dioxo-1H-quinazolin-3-yl)-3-cyclohexyl-N-pyridin-2-ylpropanamide;2-(6-chloro-2,4-dioxo-1H-quinazolin-3-yl)-3,3-dicyclohexyl-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-N-pyridin-2-ylpropanamide;3-cyclohexyl-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide (CID 87858770) is 2-(6-chloro-2,4-dioxo-1H-quinazolin-3-yl)-3-cyclohexyl-N-pyridin-2-ylpropanamide;2-(6-chloro-2,4-dioxo-1H-quinazolin-3-yl)-3,3-dicyclohexyl-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-N-pyridin-2-ylpropanamide;3-cyclohexyl-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide.

What is the SMILES notation for 2-(6-chloro-2,4-dioxo-1H-quinazolin-3-yl)-3-cyclohexyl-N-pyridin-2-ylpropanamide;2-(6-chloro-2,4-dioxo-1H-quinazolin-3-yl)-3,3-dicyclohexyl-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-N-pyridin-2-ylpropanamide;3-cyclohexyl-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide?

The canonical SMILES for 2-(6-chloro-2,4-dioxo-1H-quinazolin-3-yl)-3-cyclohexyl-N-pyridin-2-ylpropanamide;2-(6-chloro-2,4-dioxo-1H-quinazolin-3-yl)-3,3-dicyclohexyl-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-N-pyridin-2-ylpropanamide;3-cyclohexyl-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide is O=C(Nc1ccccn1)C(C(C1CCCCC1)C1CCCCC1)(n1c(=O)[nH]c2ccc(F)cc2c1=O)n1c(=O)[nH]c2ccc(Cl)cc2c1=O.O=C(Nc1ccccn1)C(CC1CCCCC1)n1c(=O)[nH]c2ccc(Cl)cc2c1=O.O=C(Nc1nccs1)C(CC1CCCCC1)n1c(=O)[nH]c2ccc(F)cc2c1=O.

What is the InChIKey of 2-(6-chloro-2,4-dioxo-1H-quinazolin-3-yl)-3-cyclohexyl-N-pyridin-2-ylpropanamide;2-(6-chloro-2,4-dioxo-1H-quinazolin-3-yl)-3,3-dicyclohexyl-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-N-pyridin-2-ylpropanamide;3-cyclohexyl-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide?

The InChIKey is RTEFMSHSAWIRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H36ClFN6O5.C22H23ClN4O3.C20H21FN4O3S/c37-23-14-16-27-25(19-23)31(45)43(34(48)40-27)36(33(47)42-29-13-7-8-18-39-29,30(21-9-3-1-4-10-21)22-11-5-2-6-12-22)44-32(46)26-20-24(38)15-17-28(26)41-35(44)49;23-15-9-10-17-16(13-15)21(29)27(22(30)25-17)18(12-14-6-2-1-3-7-14)20(28)26-19-8-4-5-11-24-19;21-13-6-7-15-14(11-13)18(27)25(20(28)23-15)16(10-12-4-2-1-3-5-12)17(26)24-19-22-8-9-29-19/h7-8,13-22,30H,1-6,9-12H2,(H,40,48)(H,41,49)(H,39,42,47);4-5,8-11,13-14,18H,1-3,6-7,12H2,(H,25,30)(H,24,26,28);6-9,11-12,16H,1-5,10H2,(H,23,28)(H,22,24,26).

What are the key properties of 2-(6-chloro-2,4-dioxo-1H-quinazolin-3-yl)-3-cyclohexyl-N-pyridin-2-ylpropanamide;2-(6-chloro-2,4-dioxo-1H-quinazolin-3-yl)-3,3-dicyclohexyl-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-N-pyridin-2-ylpropanamide;3-cyclohexyl-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide?

2-(6-chloro-2,4-dioxo-1H-quinazolin-3-yl)-3-cyclohexyl-N-pyridin-2-ylpropanamide;2-(6-chloro-2,4-dioxo-1H-quinazolin-3-yl)-3,3-dicyclohexyl-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-N-pyridin-2-ylpropanamide;3-cyclohexyl-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 1530.55 g/mol, XLogP of 12.82, 17 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-chloro-2,4-dioxo-1H-quinazolin-3-yl)-3-cyclohexyl-N-pyridin-2-ylpropanamide;2-(6-chloro-2,4-dioxo-1H-quinazolin-3-yl)-3,3-dicyclohexyl-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-N-pyridin-2-ylpropanamide;3-cyclohexyl-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 87858770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).