3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2-methylphenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-3-fluoro-2-pyridinyl]-7-methylquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-4-methoxypyrimidin-2-yl]-7-methylquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]pyrazin-2-yl]-7-methylquinazolin-4-one;3-[6-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]pyridazin-3-yl]-7-methylquinazolin-4-one

C130H101Cl6F4N19O23S10 — CID 158323084

About 3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2-methylphenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-3-fluoro-2-pyridinyl]-7-methylquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-4-methoxypyrimidin-2-yl]-7-methylquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]pyrazin-2-yl]-7-methylquinazolin-4-one;3-[6-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]pyridazin-3-yl]-7-methylquinazolin-4-one

3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2-methylphenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-3-fluoro-2-pyridinyl]-7-methylquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-4-methoxypyrimidin-2-yl]-7-methylquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]pyrazin-2-yl]-7-methylquinazolin-4-one;3-[6-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]pyridazin-3-yl]-7-methylquinazolin-4-one (PubChem CID 158323084) has the molecular formula C130H101Cl6F4N19O23S10 and a molecular weight of 2906.73 g/mol. Its IUPAC name is 3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2-methylphenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-3-fluoro-2-pyridinyl]-7-methylquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-4-methoxypyrimidin-2-yl]-7-methylquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]pyrazin-2-yl]-7-methylquinazolin-4-one;3-[6-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]pyridazin-3-yl]-7-methylquinazolin-4-one.

Molecular Properties

• Compound Name: 3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2-methylphenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-3-fluoro-2-pyridinyl]-7-methylquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-4-methoxypyrimidin-2-yl]-7-methylquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]pyrazin-2-yl]-7-methylquinazolin-4-one;3-[6-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]pyridazin-3-yl]-7-methylquinazolin-4-one
• PubChem CID: 158323084
• Molecular Formula: C130H101Cl6F4N19O23S10
• Molecular Weight: 2906.73 g/mol
• Exact Mass: 2901.26
• IUPAC Name: 3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2-methylphenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-3-fluoro-2-pyridinyl]-7-methylquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-4-methoxypyrimidin-2-yl]-7-methylquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]pyrazin-2-yl]-7-methylquinazolin-4-one;3-[6-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]pyridazin-3-yl]-7-methylquinazolin-4-one
• SMILES: COc1nc(-n2cnc3cc(C)ccc3c2=O)ncc1CC(=O)CS(=O)(=O)c1ccc(Cl)s1.Cc1ccc2c(=O)n(-c3ccc(CC(=O)CCc4ccc(Cl)s4)cc3C(F)(F)F)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3ccc(CC(=O)CCc4ccc(Cl)s4)cc3C)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)nn3)cnc2c1.Cc1ccc2c(=O)n(-c3cnc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cn3)cnc2c1.Cc1ccc2c(=O)n(-c3ncc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cc3F)cnc2c1
• InChI: InChI=1S/C24H18ClF3N2O3S.C24H21ClN2O3S.C21H15ClFN3O4S2.C21H17ClN4O5S2.2C20H15ClN4O4S2/c1-13-2-7-17-19(10-13)29-23(33)30(22(17)32)20-8-3-14(12-18(20)24(26,27)28)11-15(31)4-5-16-6-9-21(25)34-16;1-14-3-8-19-20(11-14)26-24(30)27(23(19)29)21-9-4-16(12-15(21)2)13-17(28)5-6-18-7-10-22(25)31-18;1-12-2-3-15-17(6-12)25-11-26(21(15)28)20-16(23)8-13(9-24-20)7-14(27)10-32(29,30)19-5-4-18(22)31-19;1-12-3-4-15-16(7-12)24-11-26(20(15)28)21-23-9-13(19(25-21)31-2)8-14(27)10-33(29,30)18-6-5-17(22)32-18;1-12-2-4-15-16(8-12)22-11-25(20(15)27)18-6-3-13(23-24-18)9-14(26)10-31(28,29)19-7-5-17(21)30-19;1-12-2-3-15-16(6-12)24-11-25(20(15)27)18-9-22-13(8-23-18)7-14(26)10-31(28,29)19-5-4-17(21)30-19/h2-3,6-10,12H,4-5,11H2,1H3,(H,29,33);3-4,7-12H,5-6,13H2,1-2H3,(H,26,30);2-6,8-9,11H,7,10H2,1H3;3-7,9,11H,8,10H2,1-2H3;2-8,11H,9-10H2,1H3;2-6,8-9,11H,7,10H2,1H3
• InChIKey: GPBVMFQLTMFMEH-UHFFFAOYSA-N
• XLogP: 22.11
• TPSA: 587.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 46
• Rotatable Bonds: 37
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2906.73
LogP ≤ 5	22.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	46

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2-methylphenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-3-fluoro-2-pyridinyl]-7-methylquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-4-methoxypyrimidin-2-yl]-7-methylquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]pyrazin-2-yl]-7-methylquinazolin-4-one;3-[6-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]pyridazin-3-yl]-7-methylquinazolin-4-one?

The IUPAC name of 3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2-methylphenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-3-fluoro-2-pyridinyl]-7-methylquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-4-methoxypyrimidin-2-yl]-7-methylquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]pyrazin-2-yl]-7-methylquinazolin-4-one;3-[6-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]pyridazin-3-yl]-7-methylquinazolin-4-one (CID 158323084) is 3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2-methylphenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-3-fluoro-2-pyridinyl]-7-methylquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-4-methoxypyrimidin-2-yl]-7-methylquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]pyrazin-2-yl]-7-methylquinazolin-4-one;3-[6-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]pyridazin-3-yl]-7-methylquinazolin-4-one.

What is the SMILES notation for 3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2-methylphenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-3-fluoro-2-pyridinyl]-7-methylquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-4-methoxypyrimidin-2-yl]-7-methylquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]pyrazin-2-yl]-7-methylquinazolin-4-one;3-[6-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]pyridazin-3-yl]-7-methylquinazolin-4-one?

The canonical SMILES for 3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2-methylphenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-3-fluoro-2-pyridinyl]-7-methylquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-4-methoxypyrimidin-2-yl]-7-methylquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]pyrazin-2-yl]-7-methylquinazolin-4-one;3-[6-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]pyridazin-3-yl]-7-methylquinazolin-4-one is COc1nc(-n2cnc3cc(C)ccc3c2=O)ncc1CC(=O)CS(=O)(=O)c1ccc(Cl)s1.Cc1ccc2c(=O)n(-c3ccc(CC(=O)CCc4ccc(Cl)s4)cc3C(F)(F)F)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3ccc(CC(=O)CCc4ccc(Cl)s4)cc3C)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)nn3)cnc2c1.Cc1ccc2c(=O)n(-c3cnc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cn3)cnc2c1.Cc1ccc2c(=O)n(-c3ncc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cc3F)cnc2c1.

What is the InChIKey of 3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2-methylphenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-3-fluoro-2-pyridinyl]-7-methylquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-4-methoxypyrimidin-2-yl]-7-methylquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]pyrazin-2-yl]-7-methylquinazolin-4-one;3-[6-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]pyridazin-3-yl]-7-methylquinazolin-4-one?

The InChIKey is GPBVMFQLTMFMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClF3N2O3S.C24H21ClN2O3S.C21H15ClFN3O4S2.C21H17ClN4O5S2.2C20H15ClN4O4S2/c1-13-2-7-17-19(10-13)29-23(33)30(22(17)32)20-8-3-14(12-18(20)24(26,27)28)11-15(31)4-5-16-6-9-21(25)34-16;1-14-3-8-19-20(11-14)26-24(30)27(23(19)29)21-9-4-16(12-15(21)2)13-17(28)5-6-18-7-10-22(25)31-18;1-12-2-3-15-17(6-12)25-11-26(21(15)28)20-16(23)8-13(9-24-20)7-14(27)10-32(29,30)19-5-4-18(22)31-19;1-12-3-4-15-16(7-12)24-11-26(20(15)28)21-23-9-13(19(25-21)31-2)8-14(27)10-33(29,30)18-6-5-17(22)32-18;1-12-2-4-15-16(8-12)22-11-25(20(15)27)18-6-3-13(23-24-18)9-14(26)10-31(28,29)19-7-5-17(21)30-19;1-12-2-3-15-16(6-12)24-11-25(20(15)27)18-9-22-13(8-23-18)7-14(26)10-31(28,29)19-5-4-17(21)30-19/h2-3,6-10,12H,4-5,11H2,1H3,(H,29,33);3-4,7-12H,5-6,13H2,1-2H3,(H,26,30);2-6,8-9,11H,7,10H2,1H3;3-7,9,11H,8,10H2,1-2H3;2-8,11H,9-10H2,1H3;2-6,8-9,11H,7,10H2,1H3.

What are the key properties of 3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2-methylphenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-3-fluoro-2-pyridinyl]-7-methylquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-4-methoxypyrimidin-2-yl]-7-methylquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]pyrazin-2-yl]-7-methylquinazolin-4-one;3-[6-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]pyridazin-3-yl]-7-methylquinazolin-4-one?

3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2-methylphenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-3-fluoro-2-pyridinyl]-7-methylquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-4-methoxypyrimidin-2-yl]-7-methylquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]pyrazin-2-yl]-7-methylquinazolin-4-one;3-[6-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]pyridazin-3-yl]-7-methylquinazolin-4-one has a molecular weight of 2906.73 g/mol, XLogP of 22.11, 37 rotatable bonds, 2 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2-methylphenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-3-fluoro-2-pyridinyl]-7-methylquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-4-methoxypyrimidin-2-yl]-7-methylquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]pyrazin-2-yl]-7-methylquinazolin-4-one;3-[6-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]pyridazin-3-yl]-7-methylquinazolin-4-one is sourced from PubChem (CID 158323084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).