3-[2-chloro-4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-6-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2,6-difluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-3-fluoro-2-pyridinyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2-fluoro-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]pyrazin-2-yl]-7-methyl-1H-quinazoline-2,4-dione

C136H103Cl7F9N15O18S6 — CID 162141783

IUPAC3-[2-chloro-4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-6-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2,6-difluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-3-fluoro-2-pyridinyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2-fluoro-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]pyrazin-2-yl]-7-methyl-1H-quinazoline-2,4-dione
SMILESCc1ccc2c(=O)n(-c3c(F)cc(CC(=O)CCc4ccc(Cl)s4)cc3C(F)(F)F)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3c(F)cc(CC(=O)CCc4ccc(Cl)s4)cc3Cl)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3c(F)cc(CC(=O)CCc4ccc(Cl)s4)cc3F)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3ccc(CC(=O)CCc4ccc(Cl)s4)cc3F)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3cnc(CC(=O)CCc4ccc(Cl)s4)cn3)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3ncc(CC(=O)CCc4ccc(Cl)s4)cc3F)c(=O)[nH]c2c1
InChIInChI=1S/C24H17ClF4N2O3S.C23H17Cl2FN2O3S.C23H17ClF2N2O3S.C23H18ClFN2O3S.C22H17ClFN3O3S.C21H17ClN4O3S/c1-12-2-6-16-19(8-12)30-23(34)31(22(16)33)21-17(24(27,28)29)10-13(11-18(21)26)9-14(32)3-4-15-5-7-20(25)35-15;1-12-2-6-16-19(8-12)27-23(31)28(22(16)30)21-17(24)10-13(11-18(21)26)9-14(29)3-4-15-5-7-20(25)32-15;1-12-2-6-16-19(8-12)27-23(31)28(22(16)30)21-17(25)10-13(11-18(21)26)9-14(29)3-4-15-5-7-20(24)32-15;1-13-2-7-17-19(10-13)26-23(30)27(22(17)29)20-8-3-14(12-18(20)25)11-15(28)4-5-16-6-9-21(24)31-16;1-12-2-6-16-18(8-12)26-22(30)27(21(16)29)20-17(24)10-13(11-25-20)9-14(28)3-4-15-5-7-19(23)31-15;1-12-2-6-16-17(8-12)25-21(29)26(20(16)28)19-11-23-13(10-24-19)9-14(27)3-4-15-5-7-18(22)30-15/h2,5-8,10-11H,3-4,9H2,1H3,(H,30,34);2*2,5-8,10-11H,3-4,9H2,1H3,(H,27,31);2-3,6-10,12H,4-5,11H2,1H3,(H,26,30);2,5-8,10-11H,3-4,9H2,1H3,(H,26,30);2,5-8,10-11H,3-4,9H2,1H3,(H,25,29)
InChIKeyZKADWOPPBLVFJH-UHFFFAOYSA-N
MW2846.96 g/mol
LogP27.37
Rot. Bonds36

About 3-[2-chloro-4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-6-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2,6-difluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-3-fluoro-2-pyridinyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2-fluoro-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]pyrazin-2-yl]-7-methyl-1H-quinazoline-2,4-dione

3-[2-chloro-4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-6-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2,6-difluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-3-fluoro-2-pyridinyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2-fluoro-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]pyrazin-2-yl]-7-methyl-1H-quinazoline-2,4-dione (PubChem CID 162141783) has the molecular formula C136H103Cl7F9N15O18S6 and a molecular weight of 2846.96 g/mol. Its IUPAC name is 3-[2-chloro-4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-6-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2,6-difluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-3-fluoro-2-pyridinyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2-fluoro-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]pyrazin-2-yl]-7-methyl-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-[2-chloro-4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-6-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2,6-difluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-3-fluoro-2-pyridinyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2-fluoro-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]pyrazin-2-yl]-7-methyl-1H-quinazoline-2,4-dione
PubChem CID162141783
Molecular FormulaC136H103Cl7F9N15O18S6
Molecular Weight2846.96 g/mol
Exact Mass2841.36
IUPAC Name3-[2-chloro-4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-6-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2,6-difluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-3-fluoro-2-pyridinyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2-fluoro-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]pyrazin-2-yl]-7-methyl-1H-quinazoline-2,4-dione
SMILESCc1ccc2c(=O)n(-c3c(F)cc(CC(=O)CCc4ccc(Cl)s4)cc3C(F)(F)F)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3c(F)cc(CC(=O)CCc4ccc(Cl)s4)cc3Cl)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3c(F)cc(CC(=O)CCc4ccc(Cl)s4)cc3F)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3ccc(CC(=O)CCc4ccc(Cl)s4)cc3F)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3cnc(CC(=O)CCc4ccc(Cl)s4)cn3)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3ncc(CC(=O)CCc4ccc(Cl)s4)cc3F)c(=O)[nH]c2c1
InChIInChI=1S/C24H17ClF4N2O3S.C23H17Cl2FN2O3S.C23H17ClF2N2O3S.C23H18ClFN2O3S.C22H17ClFN3O3S.C21H17ClN4O3S/c1-12-2-6-16-19(8-12)30-23(34)31(22(16)33)21-17(24(27,28)29)10-13(11-18(21)26)9-14(32)3-4-15-5-7-20(25)35-15;1-12-2-6-16-19(8-12)27-23(31)28(22(16)30)21-17(24)10-13(11-18(21)26)9-14(29)3-4-15-5-7-20(25)32-15;1-12-2-6-16-19(8-12)27-23(31)28(22(16)30)21-17(25)10-13(11-18(21)26)9-14(29)3-4-15-5-7-20(24)32-15;1-13-2-7-17-19(10-13)26-23(30)27(22(17)29)20-8-3-14(12-18(20)25)11-15(28)4-5-16-6-9-21(24)31-16;1-12-2-6-16-18(8-12)26-22(30)27(21(16)29)20-17(24)10-13(11-25-20)9-14(28)3-4-15-5-7-19(23)31-15;1-12-2-6-16-17(8-12)25-21(29)26(20(16)28)19-11-23-13(10-24-19)9-14(27)3-4-15-5-7-18(22)30-15/h2,5-8,10-11H,3-4,9H2,1H3,(H,30,34);2*2,5-8,10-11H,3-4,9H2,1H3,(H,27,31);2-3,6-10,12H,4-5,11H2,1H3,(H,26,30);2,5-8,10-11H,3-4,9H2,1H3,(H,26,30);2,5-8,10-11H,3-4,9H2,1H3,(H,25,29)
InChIKeyZKADWOPPBLVFJH-UHFFFAOYSA-N
XLogP27.37
TPSA470.25 Ų
H-Bond Donors6
H-Bond Acceptors33
Rotatable Bonds36
Heavy Atoms191
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002846.96
LogP ≤ 527.37
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1033

Analyze 3-[2-chloro-4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-6-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2,6-difluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-3-fluoro-2-pyridinyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2-fluoro-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]pyrazin-2-yl]-7-methyl-1H-quinazoline-2,4-dione with MolForge

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Related Compounds

3-[2-chloro-4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-6-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-3-fluoro-2-pyridinyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-2-fluoro-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]pyrazin-2-yl]-7-methyl-1H-quinazoline-2,4-dione;3-[6-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]pyridazin-3-yl]-7-methyl-1H-quinazoline-2,4-dione
CID 157298299
1-[6-[7-chloro-6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[6-(cyclopropylamino)-1,3-dioxo-4H-isoquinolin-2-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[1,3-dioxo-6-(2,2,2-trifluoroethylamino)-4H-isoquinolin-2-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[6-(N'-methylcarbamimidoyl)-1,3-dioxo-4H-isoquinolin-2-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(3-methyl-1,1,7,9-tetraoxo-4,6-dihydropyrido[4,3-g][1,2,4]benzothiadiazin-8-yl)-3-pyridinyl]urea
CID 157319977
1-[6-[6-chloro-7-(methylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(cyclopropylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(N'-methylcarbamimidoyl)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(3-methyl-1,1,9-trioxo-4H-pyrimido[4,5-g][1,2,4]benzothiadiazin-8-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]-3-pyridinyl]urea
CID 157499285
1-(5-chlorothiophen-2-yl)sulfonyl-3-[3,5-difluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-(trifluoromethyl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-methyl-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(2-oxo-5-phenyl-1-pyridinyl)-3-pyridinyl]urea
CID 157661085
1-[3-chloro-5-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[5-fluoro-6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-5-(trifluoromethyl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[5-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrazin-2-yl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyridazin-3-yl]urea
CID 158442896
1-[6-[6-chloro-2-methyl-7-(methylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(cyclopropylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(3,7-dimethyl-1,1,9-trioxo-4H-pyrimido[4,5-g][1,2,4]benzothiadiazin-8-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2-methyl-7-(N'-methylcarbamimidoyl)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2-methyl-4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]-3-pyridinyl]urea
CID 158720059
1-[4-[6-chloro-7-(methylamino)-4-oxoquinazolin-3-yl]-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(cyclopropylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(dimethylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(3,7-dimethyl-1,1,9-trioxo-4H-pyrimido[4,5-g][1,2,4]benzothiadiazin-8-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2-methyl-7-(N'-methylcarbamimidoyl)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2-methyl-4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]-3-pyridinyl]urea
CID 158838854
3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2,6-difluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-methylphenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;1-[5-[3-(5-fluorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-5-phenylpyridin-2-one
CID 158961422
1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(cyclopropylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(dimethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(2,2,2-trifluoroethylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(ethylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(N'-methylcarbamimidoyl)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-methylsulfanyl-2,4-dioxo-1H-quinazolin-3-yl)-3-pyridinyl]urea
CID 159083729
3-chloro-N-(5-chlorothiophen-2-yl)sulfonyl-5-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-3,5-difluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-5-fluoro-6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyridine-3-carboxamide;N-(5-chlorothiophen-2-yl)sulfonyl-3-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-5-(trifluoromethyl)benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-5-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrazine-2-carboxamide;N-(5-chlorothiophen-2-yl)sulfonyl-6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyridazine-3-carboxamide
CID 159385273
1-[6-[6-chloro-7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(cyclopropylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[2,4-dioxo-7-(2,2,2-trifluoroethylamino)-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(N'-methylcarbamimidoyl)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(3-methyl-1,1,7,9-tetraoxo-4,6-dihydropyrimido[4,5-g][1,2,4]benzothiadiazin-8-yl)-3-pyridinyl]urea
CID 159398737
1-[3-chloro-5-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-thiophen-2-ylsulfonylurea;1-[3,5-difluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-thiophen-2-ylsulfonylurea;1-[3-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-thiophen-2-ylsulfonylurea;1-[5-fluoro-6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]-3-thiophen-2-ylsulfonylurea;1-[3-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-5-(trifluoromethyl)phenyl]-3-thiophen-2-ylsulfonylurea;1-[5-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrazin-2-yl]-3-thiophen-2-ylsulfonylurea;1-[4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-(trifluoromethyl)phenyl]-3-thiophen-2-ylsulfonylurea;1-[3-methyl-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-thiophen-2-ylsulfonylurea
CID 159424625

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-6-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2,6-difluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-3-fluoro-2-pyridinyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2-fluoro-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]pyrazin-2-yl]-7-methyl-1H-quinazoline-2,4-dione?
The IUPAC name of 3-[2-chloro-4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-6-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2,6-difluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-3-fluoro-2-pyridinyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2-fluoro-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]pyrazin-2-yl]-7-methyl-1H-quinazoline-2,4-dione (CID 162141783) is 3-[2-chloro-4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-6-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2,6-difluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-3-fluoro-2-pyridinyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2-fluoro-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]pyrazin-2-yl]-7-methyl-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-[2-chloro-4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-6-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2,6-difluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-3-fluoro-2-pyridinyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2-fluoro-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]pyrazin-2-yl]-7-methyl-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-[2-chloro-4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-6-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2,6-difluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-3-fluoro-2-pyridinyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2-fluoro-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]pyrazin-2-yl]-7-methyl-1H-quinazoline-2,4-dione is Cc1ccc2c(=O)n(-c3c(F)cc(CC(=O)CCc4ccc(Cl)s4)cc3C(F)(F)F)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3c(F)cc(CC(=O)CCc4ccc(Cl)s4)cc3Cl)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3c(F)cc(CC(=O)CCc4ccc(Cl)s4)cc3F)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3ccc(CC(=O)CCc4ccc(Cl)s4)cc3F)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3cnc(CC(=O)CCc4ccc(Cl)s4)cn3)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3ncc(CC(=O)CCc4ccc(Cl)s4)cc3F)c(=O)[nH]c2c1.
What is the InChIKey of 3-[2-chloro-4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-6-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2,6-difluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-3-fluoro-2-pyridinyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2-fluoro-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]pyrazin-2-yl]-7-methyl-1H-quinazoline-2,4-dione?
The InChIKey is ZKADWOPPBLVFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClF4N2O3S.C23H17Cl2FN2O3S.C23H17ClF2N2O3S.C23H18ClFN2O3S.C22H17ClFN3O3S.C21H17ClN4O3S/c1-12-2-6-16-19(8-12)30-23(34)31(22(16)33)21-17(24(27,28)29)10-13(11-18(21)26)9-14(32)3-4-15-5-7-20(25)35-15;1-12-2-6-16-19(8-12)27-23(31)28(22(16)30)21-17(24)10-13(11-18(21)26)9-14(29)3-4-15-5-7-20(25)32-15;1-12-2-6-16-19(8-12)27-23(31)28(22(16)30)21-17(25)10-13(11-18(21)26)9-14(29)3-4-15-5-7-20(24)32-15;1-13-2-7-17-19(10-13)26-23(30)27(22(17)29)20-8-3-14(12-18(20)25)11-15(28)4-5-16-6-9-21(24)31-16;1-12-2-6-16-18(8-12)26-22(30)27(21(16)29)20-17(24)10-13(11-25-20)9-14(28)3-4-15-5-7-19(23)31-15;1-12-2-6-16-17(8-12)25-21(29)26(20(16)28)19-11-23-13(10-24-19)9-14(27)3-4-15-5-7-18(22)30-15/h2,5-8,10-11H,3-4,9H2,1H3,(H,30,34);2*2,5-8,10-11H,3-4,9H2,1H3,(H,27,31);2-3,6-10,12H,4-5,11H2,1H3,(H,26,30);2,5-8,10-11H,3-4,9H2,1H3,(H,26,30);2,5-8,10-11H,3-4,9H2,1H3,(H,25,29).
What are the key properties of 3-[2-chloro-4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-6-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2,6-difluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-3-fluoro-2-pyridinyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2-fluoro-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]pyrazin-2-yl]-7-methyl-1H-quinazoline-2,4-dione?
3-[2-chloro-4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-6-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2,6-difluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-3-fluoro-2-pyridinyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2-fluoro-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]pyrazin-2-yl]-7-methyl-1H-quinazoline-2,4-dione has a molecular weight of 2846.96 g/mol, XLogP of 27.37, 36 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-6-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2,6-difluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-3-fluoro-2-pyridinyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2-fluoro-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]pyrazin-2-yl]-7-methyl-1H-quinazoline-2,4-dione is sourced from PubChem (CID 162141783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).