3-[2-chloro-6-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2,6-difluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[3-fluoro-5-(2-oxo-3-thiophen-2-ylsulfonylpropyl)-2-pyridinyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;7-methyl-3-[5-(2-oxo-3-thiophen-2-ylsulfonylpropyl)pyrazin-2-yl]-1H-quinazoline-2,4-dione

C130H97ClF9N15O30S12 — CID 162247260

IUPAC3-[2-chloro-6-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2,6-difluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[3-fluoro-5-(2-oxo-3-thiophen-2-ylsulfonylpropyl)-2-pyridinyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;7-methyl-3-[5-(2-oxo-3-thiophen-2-ylsulfonylpropyl)pyrazin-2-yl]-1H-quinazoline-2,4-dione
SMILESCc1ccc2c(=O)n(-c3c(F)cc(CC(=O)CS(=O)(=O)c4cccs4)cc3C(F)(F)F)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3c(F)cc(CC(=O)CS(=O)(=O)c4cccs4)cc3Cl)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3c(F)cc(CC(=O)CS(=O)(=O)c4cccs4)cc3F)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4cccs4)cc3F)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3cnc(CC(=O)CS(=O)(=O)c4cccs4)cn3)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3ncc(CC(=O)CS(=O)(=O)c4cccs4)cc3F)c(=O)[nH]c2c1
InChIInChI=1S/C23H16F4N2O5S2.C22H16ClFN2O5S2.C22H16F2N2O5S2.C22H17FN2O5S2.C21H16FN3O5S2.C20H16N4O5S2/c1-12-4-5-15-18(7-12)28-22(32)29(21(15)31)20-16(23(25,26)27)9-13(10-17(20)24)8-14(30)11-36(33,34)19-3-2-6-35-19;2*1-12-4-5-15-18(7-12)25-22(29)26(21(15)28)20-16(23)9-13(10-17(20)24)8-14(27)11-33(30,31)19-3-2-6-32-19;1-13-4-6-16-18(9-13)24-22(28)25(21(16)27)19-7-5-14(11-17(19)23)10-15(26)12-32(29,30)20-3-2-8-31-20;1-12-4-5-15-17(7-12)24-21(28)25(20(15)27)19-16(22)9-13(10-23-19)8-14(26)11-32(29,30)18-3-2-6-31-18;1-12-4-5-15-16(7-12)23-20(27)24(19(15)26)17-10-21-13(9-22-17)8-14(25)11-31(28,29)18-3-2-6-30-18/h2-7,9-10H,8,11H2,1H3,(H,28,32);2*2-7,9-10H,8,11H2,1H3,(H,25,29);2-9,11H,10,12H2,1H3,(H,24,28);2-7,9-10H,8,11H2,1H3,(H,24,28);2-7,9-10H,8,11H2,1H3,(H,23,27)
InChIKeyZXMUGFNRMQPWHH-UHFFFAOYSA-N
MW2940.52 g/mol
LogP16.50
Rot. Bonds36

About 3-[2-chloro-6-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2,6-difluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[3-fluoro-5-(2-oxo-3-thiophen-2-ylsulfonylpropyl)-2-pyridinyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;7-methyl-3-[5-(2-oxo-3-thiophen-2-ylsulfonylpropyl)pyrazin-2-yl]-1H-quinazoline-2,4-dione

3-[2-chloro-6-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2,6-difluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[3-fluoro-5-(2-oxo-3-thiophen-2-ylsulfonylpropyl)-2-pyridinyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;7-methyl-3-[5-(2-oxo-3-thiophen-2-ylsulfonylpropyl)pyrazin-2-yl]-1H-quinazoline-2,4-dione (PubChem CID 162247260) has the molecular formula C130H97ClF9N15O30S12 and a molecular weight of 2940.52 g/mol. Its IUPAC name is 3-[2-chloro-6-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2,6-difluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[3-fluoro-5-(2-oxo-3-thiophen-2-ylsulfonylpropyl)-2-pyridinyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;7-methyl-3-[5-(2-oxo-3-thiophen-2-ylsulfonylpropyl)pyrazin-2-yl]-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-[2-chloro-6-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2,6-difluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[3-fluoro-5-(2-oxo-3-thiophen-2-ylsulfonylpropyl)-2-pyridinyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;7-methyl-3-[5-(2-oxo-3-thiophen-2-ylsulfonylpropyl)pyrazin-2-yl]-1H-quinazoline-2,4-dione
PubChem CID162247260
Molecular FormulaC130H97ClF9N15O30S12
Molecular Weight2940.52 g/mol
Exact Mass2937.27
IUPAC Name3-[2-chloro-6-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2,6-difluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[3-fluoro-5-(2-oxo-3-thiophen-2-ylsulfonylpropyl)-2-pyridinyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;7-methyl-3-[5-(2-oxo-3-thiophen-2-ylsulfonylpropyl)pyrazin-2-yl]-1H-quinazoline-2,4-dione
SMILESCc1ccc2c(=O)n(-c3c(F)cc(CC(=O)CS(=O)(=O)c4cccs4)cc3C(F)(F)F)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3c(F)cc(CC(=O)CS(=O)(=O)c4cccs4)cc3Cl)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3c(F)cc(CC(=O)CS(=O)(=O)c4cccs4)cc3F)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4cccs4)cc3F)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3cnc(CC(=O)CS(=O)(=O)c4cccs4)cn3)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3ncc(CC(=O)CS(=O)(=O)c4cccs4)cc3F)c(=O)[nH]c2c1
InChIInChI=1S/C23H16F4N2O5S2.C22H16ClFN2O5S2.C22H16F2N2O5S2.C22H17FN2O5S2.C21H16FN3O5S2.C20H16N4O5S2/c1-12-4-5-15-18(7-12)28-22(32)29(21(15)31)20-16(23(25,26)27)9-13(10-17(20)24)8-14(30)11-36(33,34)19-3-2-6-35-19;2*1-12-4-5-15-18(7-12)25-22(29)26(21(15)28)20-16(23)9-13(10-17(20)24)8-14(27)11-33(30,31)19-3-2-6-32-19;1-13-4-6-16-18(9-13)24-22(28)25(21(16)27)19-7-5-14(11-17(19)23)10-15(26)12-32(29,30)20-3-2-8-31-20;1-12-4-5-15-17(7-12)24-21(28)25(20(15)27)19-16(22)9-13(10-23-19)8-14(26)11-32(29,30)18-3-2-6-31-18;1-12-4-5-15-16(7-12)23-20(27)24(19(15)26)17-10-21-13(9-22-17)8-14(25)11-31(28,29)18-3-2-6-30-18/h2-7,9-10H,8,11H2,1H3,(H,28,32);2*2-7,9-10H,8,11H2,1H3,(H,25,29);2-9,11H,10,12H2,1H3,(H,24,28);2-7,9-10H,8,11H2,1H3,(H,24,28);2-7,9-10H,8,11H2,1H3,(H,23,27)
InChIKeyZXMUGFNRMQPWHH-UHFFFAOYSA-N
XLogP16.50
TPSA675.09 Ų
H-Bond Donors6
H-Bond Acceptors45
Rotatable Bonds36
Heavy Atoms197
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002940.52
LogP ≤ 516.50
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1045

Analyze 3-[2-chloro-6-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2,6-difluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[3-fluoro-5-(2-oxo-3-thiophen-2-ylsulfonylpropyl)-2-pyridinyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;7-methyl-3-[5-(2-oxo-3-thiophen-2-ylsulfonylpropyl)pyrazin-2-yl]-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
3-[5-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-3-fluoro-2-pyridinyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-4-methoxypyrimidin-2-yl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]pyrazin-2-yl]-7-methyl-1H-quinazoline-2,4-dione;3-[6-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]pyridazin-3-yl]-7-methyl-1H-quinazoline-2,4-dione;7-methyl-3-[2-methyl-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-1H-quinazoline-2,4-dione;7-methyl-3-[4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)-2-(trifluoromethyl)phenyl]-1H-quinazoline-2,4-dione
CID 157735948
1-(5-Chlorothiophen-2-yl)sulfonyl-3-[6-[7-(dimethylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(ethylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-methyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-methylperoxysulfanyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-methylsulfanyl-4-oxoquinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-6-(trifluoromethyl)quinazolin-3-yl]-3-pyridinyl]urea
CID 157933081
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-[7-(ethylamino)-2-methyl-4-oxoquinazolin-3-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-6-methylsulfanyl-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 158204637
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
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
1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[6-(cyclopropylamino)-1-oxoisoquinolin-2-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[6-(dimethylamino)-1-oxoisoquinolin-2-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[6-(ethylamino)-1-oxoisoquinolin-2-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[6-(N'-methylcarbamimidoyl)-1-oxoisoquinolin-2-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(7-methylsulfanyl-1-oxoisoquinolin-2-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[1-oxo-6-(2,2,2-trifluoroethylamino)isoquinolin-2-yl]-3-pyridinyl]urea
CID 158866739

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-6-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2,6-difluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[3-fluoro-5-(2-oxo-3-thiophen-2-ylsulfonylpropyl)-2-pyridinyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;7-methyl-3-[5-(2-oxo-3-thiophen-2-ylsulfonylpropyl)pyrazin-2-yl]-1H-quinazoline-2,4-dione?
The IUPAC name of 3-[2-chloro-6-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2,6-difluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[3-fluoro-5-(2-oxo-3-thiophen-2-ylsulfonylpropyl)-2-pyridinyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;7-methyl-3-[5-(2-oxo-3-thiophen-2-ylsulfonylpropyl)pyrazin-2-yl]-1H-quinazoline-2,4-dione (CID 162247260) is 3-[2-chloro-6-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2,6-difluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[3-fluoro-5-(2-oxo-3-thiophen-2-ylsulfonylpropyl)-2-pyridinyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;7-methyl-3-[5-(2-oxo-3-thiophen-2-ylsulfonylpropyl)pyrazin-2-yl]-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-[2-chloro-6-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2,6-difluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[3-fluoro-5-(2-oxo-3-thiophen-2-ylsulfonylpropyl)-2-pyridinyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;7-methyl-3-[5-(2-oxo-3-thiophen-2-ylsulfonylpropyl)pyrazin-2-yl]-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-[2-chloro-6-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2,6-difluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[3-fluoro-5-(2-oxo-3-thiophen-2-ylsulfonylpropyl)-2-pyridinyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;7-methyl-3-[5-(2-oxo-3-thiophen-2-ylsulfonylpropyl)pyrazin-2-yl]-1H-quinazoline-2,4-dione is Cc1ccc2c(=O)n(-c3c(F)cc(CC(=O)CS(=O)(=O)c4cccs4)cc3C(F)(F)F)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3c(F)cc(CC(=O)CS(=O)(=O)c4cccs4)cc3Cl)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3c(F)cc(CC(=O)CS(=O)(=O)c4cccs4)cc3F)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4cccs4)cc3F)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3cnc(CC(=O)CS(=O)(=O)c4cccs4)cn3)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3ncc(CC(=O)CS(=O)(=O)c4cccs4)cc3F)c(=O)[nH]c2c1.
What is the InChIKey of 3-[2-chloro-6-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2,6-difluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[3-fluoro-5-(2-oxo-3-thiophen-2-ylsulfonylpropyl)-2-pyridinyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;7-methyl-3-[5-(2-oxo-3-thiophen-2-ylsulfonylpropyl)pyrazin-2-yl]-1H-quinazoline-2,4-dione?
The InChIKey is ZXMUGFNRMQPWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F4N2O5S2.C22H16ClFN2O5S2.C22H16F2N2O5S2.C22H17FN2O5S2.C21H16FN3O5S2.C20H16N4O5S2/c1-12-4-5-15-18(7-12)28-22(32)29(21(15)31)20-16(23(25,26)27)9-13(10-17(20)24)8-14(30)11-36(33,34)19-3-2-6-35-19;2*1-12-4-5-15-18(7-12)25-22(29)26(21(15)28)20-16(23)9-13(10-17(20)24)8-14(27)11-33(30,31)19-3-2-6-32-19;1-13-4-6-16-18(9-13)24-22(28)25(21(16)27)19-7-5-14(11-17(19)23)10-15(26)12-32(29,30)20-3-2-8-31-20;1-12-4-5-15-17(7-12)24-21(28)25(20(15)27)19-16(22)9-13(10-23-19)8-14(26)11-32(29,30)18-3-2-6-31-18;1-12-4-5-15-16(7-12)23-20(27)24(19(15)26)17-10-21-13(9-22-17)8-14(25)11-31(28,29)18-3-2-6-30-18/h2-7,9-10H,8,11H2,1H3,(H,28,32);2*2-7,9-10H,8,11H2,1H3,(H,25,29);2-9,11H,10,12H2,1H3,(H,24,28);2-7,9-10H,8,11H2,1H3,(H,24,28);2-7,9-10H,8,11H2,1H3,(H,23,27).
What are the key properties of 3-[2-chloro-6-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2,6-difluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[3-fluoro-5-(2-oxo-3-thiophen-2-ylsulfonylpropyl)-2-pyridinyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;7-methyl-3-[5-(2-oxo-3-thiophen-2-ylsulfonylpropyl)pyrazin-2-yl]-1H-quinazoline-2,4-dione?
3-[2-chloro-6-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2,6-difluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[3-fluoro-5-(2-oxo-3-thiophen-2-ylsulfonylpropyl)-2-pyridinyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;7-methyl-3-[5-(2-oxo-3-thiophen-2-ylsulfonylpropyl)pyrazin-2-yl]-1H-quinazoline-2,4-dione has a molecular weight of 2940.52 g/mol, XLogP of 16.50, 36 rotatable bonds, 6 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-6-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2,6-difluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[3-fluoro-5-(2-oxo-3-thiophen-2-ylsulfonylpropyl)-2-pyridinyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;7-methyl-3-[5-(2-oxo-3-thiophen-2-ylsulfonylpropyl)pyrazin-2-yl]-1H-quinazoline-2,4-dione is sourced from PubChem (CID 162247260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).