1-[4-(6-chloro-1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methoxy-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2-methyl-5-oxo-1,3-dihydropyrrolo[3,4-c]isoquinolin-4-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(5-oxo-2,3-dihydro-1H-pyrrolo[3,4-c]isoquinolin-4-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(5-oxo-[1,3]oxazolo[4,5-g]isoquinolin-6-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2-oxo-5-phenyl-1-pyridinyl)phenyl]urea

C170H121Cl9F4N28O38S16 — CID 158782958

IUPAC1-[4-(6-chloro-1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methoxy-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2-methyl-5-oxo-1,3-dihydropyrrolo[3,4-c]isoquinolin-4-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(5-oxo-2,3-dihydro-1H-pyrrolo[3,4-c]isoquinolin-4-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(5-oxo-[1,3]oxazolo[4,5-g]isoquinolin-6-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2-oxo-5-phenyl-1-pyridinyl)phenyl]urea
SMILESCN1Cc2c(n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3)c(=O)c3ccccc23)C1.CNc1ccc2c(c1)CC(=O)N(c1ccc(NC(=O)NS(=O)(=O)c3ccc(Cl)s3)cc1F)C2=O.COc1ccc2c(c1)CC(=O)N(c1ccc(NC(=O)NS(=O)(=O)c3ccc(Cl)s3)cc1F)C2=O.O=C(Nc1ccc(-n2c3c(c4ccccc4c2=O)CNC3)cc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2cc(-c3ccccc3)ccc2=O)cc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2ccc3cc4ncoc4cc3c2=O)cc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(N2C(=O)Cc3cc(Cl)ccc3C2=O)c(F)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(N2C(=O)Cc3ccccc3C2=O)c(F)c1)NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C23H19ClN4O4S2.C22H17ClN4O4S2.C22H16ClN3O4S2.C21H16ClFN4O5S2.C21H15ClFN3O6S2.C21H13ClN4O5S2.C20H12Cl2FN3O5S2.C20H13ClFN3O5S2/c1-27-12-18-16-4-2-3-5-17(16)22(29)28(19(18)13-27)15-8-6-14(7-9-15)25-23(30)26-34(31,32)21-11-10-20(24)33-21;23-19-9-10-20(32-19)33(30,31)26-22(29)25-13-5-7-14(8-6-13)27-18-12-24-11-17(18)15-3-1-2-4-16(15)21(27)28;23-19-11-13-21(31-19)32(29,30)25-22(28)24-17-7-9-18(10-8-17)26-14-16(6-12-20(26)27)15-4-2-1-3-5-15;1-24-12-2-4-14-11(8-12)9-18(28)27(20(14)29)16-5-3-13(10-15(16)23)25-21(30)26-34(31,32)19-7-6-17(22)33-19;1-32-13-3-4-14-11(8-13)9-18(27)26(20(14)28)16-5-2-12(10-15(16)23)24-21(29)25-34(30,31)19-7-6-17(22)33-19;22-18-5-6-19(32-18)33(29,30)25-21(28)24-13-1-3-14(4-2-13)26-8-7-12-9-16-17(31-11-23-16)10-15(12)20(26)27;21-11-1-3-13-10(7-11)8-17(27)26(19(13)28)15-4-2-12(9-14(15)23)24-20(29)25-33(30,31)18-6-5-16(22)32-18;21-16-7-8-18(31-16)32(29,30)24-20(28)23-12-5-6-15(14(22)10-12)25-17(26)9-11-3-1-2-4-13(11)19(25)27/h2-11H,12-13H2,1H3,(H2,25,26,30);1-10,24H,11-12H2,(H2,25,26,29);1-14H,(H2,24,25,28);2-8,10,24H,9H2,1H3,(H2,25,26,30);2-8,10H,9H2,1H3,(H2,24,25,29);1-11H,(H2,24,25,28);1-7,9H,8H2,(H2,24,25,29);1-8,10H,9H2,(H2,23,24,28)
InChIKeyIRHWPSMEJXHHPX-UHFFFAOYSA-N
MW4072.14 g/mol
LogP32.89
Rot. Bonds35

About 1-[4-(6-chloro-1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methoxy-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2-methyl-5-oxo-1,3-dihydropyrrolo[3,4-c]isoquinolin-4-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(5-oxo-2,3-dihydro-1H-pyrrolo[3,4-c]isoquinolin-4-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(5-oxo-[1,3]oxazolo[4,5-g]isoquinolin-6-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2-oxo-5-phenyl-1-pyridinyl)phenyl]urea

1-[4-(6-chloro-1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methoxy-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2-methyl-5-oxo-1,3-dihydropyrrolo[3,4-c]isoquinolin-4-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(5-oxo-2,3-dihydro-1H-pyrrolo[3,4-c]isoquinolin-4-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(5-oxo-[1,3]oxazolo[4,5-g]isoquinolin-6-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2-oxo-5-phenyl-1-pyridinyl)phenyl]urea (PubChem CID 158782958) has the molecular formula C170H121Cl9F4N28O38S16 and a molecular weight of 4072.14 g/mol. Its IUPAC name is 1-[4-(6-chloro-1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methoxy-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2-methyl-5-oxo-1,3-dihydropyrrolo[3,4-c]isoquinolin-4-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(5-oxo-2,3-dihydro-1H-pyrrolo[3,4-c]isoquinolin-4-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(5-oxo-[1,3]oxazolo[4,5-g]isoquinolin-6-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2-oxo-5-phenyl-1-pyridinyl)phenyl]urea.

Molecular Properties

Compound Name1-[4-(6-chloro-1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methoxy-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2-methyl-5-oxo-1,3-dihydropyrrolo[3,4-c]isoquinolin-4-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(5-oxo-2,3-dihydro-1H-pyrrolo[3,4-c]isoquinolin-4-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(5-oxo-[1,3]oxazolo[4,5-g]isoquinolin-6-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2-oxo-5-phenyl-1-pyridinyl)phenyl]urea
PubChem CID158782958
Molecular FormulaC170H121Cl9F4N28O38S16
Molecular Weight4072.14 g/mol
Exact Mass4064.11
IUPAC Name1-[4-(6-chloro-1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methoxy-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2-methyl-5-oxo-1,3-dihydropyrrolo[3,4-c]isoquinolin-4-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(5-oxo-2,3-dihydro-1H-pyrrolo[3,4-c]isoquinolin-4-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(5-oxo-[1,3]oxazolo[4,5-g]isoquinolin-6-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2-oxo-5-phenyl-1-pyridinyl)phenyl]urea
SMILESCN1Cc2c(n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3)c(=O)c3ccccc23)C1.CNc1ccc2c(c1)CC(=O)N(c1ccc(NC(=O)NS(=O)(=O)c3ccc(Cl)s3)cc1F)C2=O.COc1ccc2c(c1)CC(=O)N(c1ccc(NC(=O)NS(=O)(=O)c3ccc(Cl)s3)cc1F)C2=O.O=C(Nc1ccc(-n2c3c(c4ccccc4c2=O)CNC3)cc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2cc(-c3ccccc3)ccc2=O)cc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2ccc3cc4ncoc4cc3c2=O)cc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(N2C(=O)Cc3cc(Cl)ccc3C2=O)c(F)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(N2C(=O)Cc3ccccc3C2=O)c(F)c1)NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C23H19ClN4O4S2.C22H17ClN4O4S2.C22H16ClN3O4S2.C21H16ClFN4O5S2.C21H15ClFN3O6S2.C21H13ClN4O5S2.C20H12Cl2FN3O5S2.C20H13ClFN3O5S2/c1-27-12-18-16-4-2-3-5-17(16)22(29)28(19(18)13-27)15-8-6-14(7-9-15)25-23(30)26-34(31,32)21-11-10-20(24)33-21;23-19-9-10-20(32-19)33(30,31)26-22(29)25-13-5-7-14(8-6-13)27-18-12-24-11-17(18)15-3-1-2-4-16(15)21(27)28;23-19-11-13-21(31-19)32(29,30)25-22(28)24-17-7-9-18(10-8-17)26-14-16(6-12-20(26)27)15-4-2-1-3-5-15;1-24-12-2-4-14-11(8-12)9-18(28)27(20(14)29)16-5-3-13(10-15(16)23)25-21(30)26-34(31,32)19-7-6-17(22)33-19;1-32-13-3-4-14-11(8-13)9-18(27)26(20(14)28)16-5-2-12(10-15(16)23)24-21(29)25-34(30,31)19-7-6-17(22)33-19;22-18-5-6-19(32-18)33(29,30)25-21(28)24-13-1-3-14(4-2-13)26-8-7-12-9-16-17(31-11-23-16)10-15(12)20(26)27;21-11-1-3-13-10(7-11)8-17(27)26(19(13)28)15-4-2-12(9-14(15)23)24-20(29)25-33(30,31)18-6-5-16(22)32-18;21-16-7-8-18(31-16)32(29,30)24-20(28)23-12-5-6-15(14(22)10-12)25-17(26)9-11-3-1-2-4-13(11)19(25)27/h2-11H,12-13H2,1H3,(H2,25,26,30);1-10,24H,11-12H2,(H2,25,26,29);1-14H,(H2,24,25,28);2-8,10,24H,9H2,1H3,(H2,25,26,30);2-8,10H,9H2,1H3,(H2,24,25,29);1-11H,(H2,24,25,28);1-7,9H,8H2,(H2,24,25,29);1-8,10H,9H2,(H2,23,24,28)
InChIKeyIRHWPSMEJXHHPX-UHFFFAOYSA-N
XLogP32.89
TPSA902.24 Ų
H-Bond Donors18
H-Bond Acceptors54
Rotatable Bonds35
Heavy Atoms265
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004072.14
LogP ≤ 532.89
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1054

Analyze 1-[4-(6-chloro-1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methoxy-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2-methyl-5-oxo-1,3-dihydropyrrolo[3,4-c]isoquinolin-4-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(5-oxo-2,3-dihydro-1H-pyrrolo[3,4-c]isoquinolin-4-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(5-oxo-[1,3]oxazolo[4,5-g]isoquinolin-6-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2-oxo-5-phenyl-1-pyridinyl)phenyl]urea with MolForge

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Related Compounds

1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-(trifluoromethyl)phenyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(2-methyl-5-oxo-1,3-dihydropyrrolo[3,4-c]isoquinolin-4-yl)-3-pyridinyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(5-oxo-2,3-dihydro-1H-pyrrolo[3,4-c]isoquinolin-4-yl)-3-pyridinyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(5-oxo-[1,3]oxazolo[4,5-g]isoquinolin-6-yl)-3-pyridinyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(2-oxo-5-phenyl-1-pyridinyl)-3-pyridinyl]urea
CID 160540722
CID 161049608
CID 161049608
CID 157236359
CID 157236359
1-[6-(6-chloro-1,3-dioxo-4H-isoquinolin-2-yl)-3-pyridinyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(1,3-dioxo-4H-isoquinolin-2-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[6-(methylamino)-1-oxo-4-phenylisoquinolin-2-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[6-(methylamino)-1-oxo-4-pyridin-4-ylisoquinolin-2-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(2-methyl-5-oxo-1,3-dihydropyrrolo[3,4-g]isoquinolin-6-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(6-methoxy-1,3-dioxo-4H-isoquinolin-2-yl)-3-pyridinyl]urea
CID 157436945
1-[3-chloro-4-(1,3-dioxo-4H-isoquinolin-2-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2-methyl-5-oxo-1,3-dihydropyrrolo[3,4-c]isoquinolin-4-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(5-oxo-2,3-dihydro-1H-pyrrolo[3,4-c]isoquinolin-4-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(5-oxo-[1,3]oxazolo[4,5-g]isoquinolin-6-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2-oxo-5-phenyl-1-pyridinyl)-3-pyridinyl]urea
CID 157648600
1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2-methyl-5-oxo-1,3-dihydropyrrolo[3,4-c]isoquinolin-4-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(5-oxo-2,3-dihydro-1H-pyrrolo[3,4-c]isoquinolin-4-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(5-oxo-[1,3]oxazolo[4,5-g]isoquinolin-6-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(2-oxo-5-phenyl-1-pyridinyl)-3-pyridinyl]urea
CID 157900275
1-[3-chloro-4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[6-(methylamino)-1-oxo-4-phenylisoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[6-(methylamino)-1-oxo-4-pyridin-4-ylisoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(2-methyl-5-oxo-1,3-dihydropyrrolo[3,4-c]isoquinolin-4-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(2-methyl-5-oxo-1,3-dihydropyrrolo[3,4-g]isoquinolin-6-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(5-oxo-2,3-dihydro-1H-pyrrolo[3,4-c]isoquinolin-4-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(5-oxo-[1,3]oxazolo[4,5-g]isoquinolin-6-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(2-oxo-5-phenyl-1-pyridinyl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea
CID 158191952
1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-[6-(methylamino)-1-oxo-4-pyridin-4-ylisoquinolin-2-yl]-3-pyridinyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(2-methyl-5-oxo-1,3-dihydropyrrolo[3,4-c]isoquinolin-4-yl)-3-pyridinyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(5-oxo-2,3-dihydro-1H-pyrrolo[3,4-c]isoquinolin-4-yl)-3-pyridinyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(5-oxo-[1,3]oxazolo[4,5-g]isoquinolin-6-yl)-3-pyridinyl]urea
CID 158417513
1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-[6-(methylamino)-1-oxo-4-phenylisoquinolin-2-yl]-3-pyridinyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-[6-(methylamino)-1-oxo-4-pyridin-4-ylisoquinolin-2-yl]-3-pyridinyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(2-methyl-5-oxo-1,3-dihydropyrrolo[3,4-c]isoquinolin-4-yl)-3-pyridinyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(5-oxo-2,3-dihydro-1H-pyrrolo[3,4-c]isoquinolin-4-yl)-3-pyridinyl]urea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(5-oxo-[1,3]oxazolo[4,5-g]isoquinolin-6-yl)-3-pyridinyl]urea
CID 158953322
4-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2,3-dihydro-1H-pyrrolo[3,4-c]isoquinolin-5-one;4-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-1,3-dihydropyrrolo[3,4-c]isoquinolin-5-one;2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methyl-4-phenylisoquinolin-1-one;2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methyl-4-pyridin-4-ylisoquinolin-1-one;6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-[1,3]oxazolo[4,5-g]isoquinolin-5-one
CID 159032528
2-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-4H-isoquinoline-1,3-dione;4-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2,3-dihydro-1H-pyrrolo[3,4-c]isoquinolin-5-one;4-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-1,3-dihydropyrrolo[3,4-c]isoquinolin-5-one;6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-[1,3]oxazolo[4,5-g]isoquinolin-5-one;1-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-5-phenylpyridin-2-one
CID 159470738
1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-(methylamino)-1-oxo-4-phenylisoquinolin-2-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-(methylamino)-1-oxo-4-pyridin-4-ylisoquinolin-2-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2-methyl-5-oxo-1,3-dihydropyrrolo[3,4-g]isoquinolin-6-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(5-oxo-2,3-dihydro-1H-pyrrolo[3,4-c]isoquinolin-4-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(5-oxo-[1,3]oxazolo[4,5-g]isoquinolin-6-yl)phenyl]urea
CID 159522823

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-chloro-1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methoxy-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2-methyl-5-oxo-1,3-dihydropyrrolo[3,4-c]isoquinolin-4-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(5-oxo-2,3-dihydro-1H-pyrrolo[3,4-c]isoquinolin-4-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(5-oxo-[1,3]oxazolo[4,5-g]isoquinolin-6-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2-oxo-5-phenyl-1-pyridinyl)phenyl]urea?
The IUPAC name of 1-[4-(6-chloro-1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methoxy-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2-methyl-5-oxo-1,3-dihydropyrrolo[3,4-c]isoquinolin-4-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(5-oxo-2,3-dihydro-1H-pyrrolo[3,4-c]isoquinolin-4-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(5-oxo-[1,3]oxazolo[4,5-g]isoquinolin-6-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2-oxo-5-phenyl-1-pyridinyl)phenyl]urea (CID 158782958) is 1-[4-(6-chloro-1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methoxy-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2-methyl-5-oxo-1,3-dihydropyrrolo[3,4-c]isoquinolin-4-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(5-oxo-2,3-dihydro-1H-pyrrolo[3,4-c]isoquinolin-4-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(5-oxo-[1,3]oxazolo[4,5-g]isoquinolin-6-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2-oxo-5-phenyl-1-pyridinyl)phenyl]urea.
What is the SMILES notation for 1-[4-(6-chloro-1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methoxy-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2-methyl-5-oxo-1,3-dihydropyrrolo[3,4-c]isoquinolin-4-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(5-oxo-2,3-dihydro-1H-pyrrolo[3,4-c]isoquinolin-4-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(5-oxo-[1,3]oxazolo[4,5-g]isoquinolin-6-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2-oxo-5-phenyl-1-pyridinyl)phenyl]urea?
The canonical SMILES for 1-[4-(6-chloro-1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methoxy-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2-methyl-5-oxo-1,3-dihydropyrrolo[3,4-c]isoquinolin-4-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(5-oxo-2,3-dihydro-1H-pyrrolo[3,4-c]isoquinolin-4-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(5-oxo-[1,3]oxazolo[4,5-g]isoquinolin-6-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2-oxo-5-phenyl-1-pyridinyl)phenyl]urea is CN1Cc2c(n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3)c(=O)c3ccccc23)C1.CNc1ccc2c(c1)CC(=O)N(c1ccc(NC(=O)NS(=O)(=O)c3ccc(Cl)s3)cc1F)C2=O.COc1ccc2c(c1)CC(=O)N(c1ccc(NC(=O)NS(=O)(=O)c3ccc(Cl)s3)cc1F)C2=O.O=C(Nc1ccc(-n2c3c(c4ccccc4c2=O)CNC3)cc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2cc(-c3ccccc3)ccc2=O)cc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2ccc3cc4ncoc4cc3c2=O)cc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(N2C(=O)Cc3cc(Cl)ccc3C2=O)c(F)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(N2C(=O)Cc3ccccc3C2=O)c(F)c1)NS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 1-[4-(6-chloro-1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methoxy-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2-methyl-5-oxo-1,3-dihydropyrrolo[3,4-c]isoquinolin-4-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(5-oxo-2,3-dihydro-1H-pyrrolo[3,4-c]isoquinolin-4-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(5-oxo-[1,3]oxazolo[4,5-g]isoquinolin-6-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2-oxo-5-phenyl-1-pyridinyl)phenyl]urea?
The InChIKey is IRHWPSMEJXHHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O4S2.C22H17ClN4O4S2.C22H16ClN3O4S2.C21H16ClFN4O5S2.C21H15ClFN3O6S2.C21H13ClN4O5S2.C20H12Cl2FN3O5S2.C20H13ClFN3O5S2/c1-27-12-18-16-4-2-3-5-17(16)22(29)28(19(18)13-27)15-8-6-14(7-9-15)25-23(30)26-34(31,32)21-11-10-20(24)33-21;23-19-9-10-20(32-19)33(30,31)26-22(29)25-13-5-7-14(8-6-13)27-18-12-24-11-17(18)15-3-1-2-4-16(15)21(27)28;23-19-11-13-21(31-19)32(29,30)25-22(28)24-17-7-9-18(10-8-17)26-14-16(6-12-20(26)27)15-4-2-1-3-5-15;1-24-12-2-4-14-11(8-12)9-18(28)27(20(14)29)16-5-3-13(10-15(16)23)25-21(30)26-34(31,32)19-7-6-17(22)33-19;1-32-13-3-4-14-11(8-13)9-18(27)26(20(14)28)16-5-2-12(10-15(16)23)24-21(29)25-34(30,31)19-7-6-17(22)33-19;22-18-5-6-19(32-18)33(29,30)25-21(28)24-13-1-3-14(4-2-13)26-8-7-12-9-16-17(31-11-23-16)10-15(12)20(26)27;21-11-1-3-13-10(7-11)8-17(27)26(19(13)28)15-4-2-12(9-14(15)23)24-20(29)25-33(30,31)18-6-5-16(22)32-18;21-16-7-8-18(31-16)32(29,30)24-20(28)23-12-5-6-15(14(22)10-12)25-17(26)9-11-3-1-2-4-13(11)19(25)27/h2-11H,12-13H2,1H3,(H2,25,26,30);1-10,24H,11-12H2,(H2,25,26,29);1-14H,(H2,24,25,28);2-8,10,24H,9H2,1H3,(H2,25,26,30);2-8,10H,9H2,1H3,(H2,24,25,29);1-11H,(H2,24,25,28);1-7,9H,8H2,(H2,24,25,29);1-8,10H,9H2,(H2,23,24,28).
What are the key properties of 1-[4-(6-chloro-1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methoxy-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2-methyl-5-oxo-1,3-dihydropyrrolo[3,4-c]isoquinolin-4-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(5-oxo-2,3-dihydro-1H-pyrrolo[3,4-c]isoquinolin-4-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(5-oxo-[1,3]oxazolo[4,5-g]isoquinolin-6-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2-oxo-5-phenyl-1-pyridinyl)phenyl]urea?
1-[4-(6-chloro-1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methoxy-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2-methyl-5-oxo-1,3-dihydropyrrolo[3,4-c]isoquinolin-4-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(5-oxo-2,3-dihydro-1H-pyrrolo[3,4-c]isoquinolin-4-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(5-oxo-[1,3]oxazolo[4,5-g]isoquinolin-6-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2-oxo-5-phenyl-1-pyridinyl)phenyl]urea has a molecular weight of 4072.14 g/mol, XLogP of 32.89, 35 rotatable bonds, 18 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-chloro-1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(1,3-dioxo-4H-isoquinolin-2-yl)-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(6-methoxy-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2-methyl-5-oxo-1,3-dihydropyrrolo[3,4-c]isoquinolin-4-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(5-oxo-2,3-dihydro-1H-pyrrolo[3,4-c]isoquinolin-4-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(5-oxo-[1,3]oxazolo[4,5-g]isoquinolin-6-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(2-oxo-5-phenyl-1-pyridinyl)phenyl]urea is sourced from PubChem (CID 158782958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).