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-(6-methyl-1-oxo-4-phenylisoquinolin-2-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-1H-imidazo[4,5-g]isoquinolin-6-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-chloro-1-oxoisoquinolin-2-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-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-methoxy-1-oxoisoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(1-oxoisoquinolin-2-yl)phenyl]urea

C224H158Cl18N38O42S20 — CID 159681207

IUPAC1-[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-(6-methyl-1-oxo-4-phenylisoquinolin-2-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-1H-imidazo[4,5-g]isoquinolin-6-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-chloro-1-oxoisoquinolin-2-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-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-methoxy-1-oxoisoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(1-oxoisoquinolin-2-yl)phenyl]urea
SMILESCN1Cc2c(n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3Cl)c(=O)c3ccccc23)C1.CN1Cc2cc3ccn(-c4ccc(NC(=O)NS(=O)(=O)c5ccc(Cl)s5)cc4Cl)c(=O)c3cc2C1.CNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3Cl)cc(-c3ccncc3)c2c1.COc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3)ccc2c1.Cc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3Cl)cc(-c3ccccc3)c2c1.O=C(Nc1ccc(-n2c3c(c4ccccc4c2=O)CNC3)c(Cl)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2ccc3cc(Cl)ccc3c2=O)cc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2ccc3cc4[nH]cnc4cc3c2=O)c(Cl)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2ccc3cc4ncoc4cc3c2=O)c(Cl)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2ccc3ccccc3c2=O)cc1)NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C27H19Cl2N3O4S2.C26H19Cl2N5O4S2.2C23H18Cl2N4O4S2.C22H16Cl2N4O4S2.C21H13Cl2N5O4S2.C21H12Cl2N4O5S2.C21H16ClN3O5S2.C20H13Cl2N3O4S2.C20H14ClN3O4S2/c1-16-7-9-19-20(13-16)21(17-5-3-2-4-6-17)15-32(26(19)33)23-10-8-18(14-22(23)28)30-27(34)31-38(35,36)25-12-11-24(29)37-25;1-29-16-2-4-18-19(12-16)20(15-8-10-30-11-9-15)14-33(25(18)34)22-5-3-17(13-21(22)27)31-26(35)32-39(36,37)24-7-6-23(28)38-24;1-28-11-14-8-13-6-7-29(22(30)17(13)9-15(14)12-28)19-3-2-16(10-18(19)24)26-23(31)27-35(32,33)21-5-4-20(25)34-21;1-28-11-16-14-4-2-3-5-15(14)22(30)29(19(16)12-28)18-7-6-13(10-17(18)24)26-23(31)27-35(32,33)21-9-8-20(25)34-21;23-16-9-12(26-22(30)27-34(31,32)20-8-7-19(24)33-20)5-6-17(16)28-18-11-25-10-15(18)13-3-1-2-4-14(13)21(28)29;22-14-8-12(26-21(30)27-34(31,32)19-4-3-18(23)33-19)1-2-17(14)28-6-5-11-7-15-16(25-10-24-15)9-13(11)20(28)29;22-14-8-12(25-21(29)26-34(30,31)19-4-3-18(23)33-19)1-2-16(14)27-6-5-11-7-15-17(32-10-24-15)9-13(11)20(27)28;1-30-16-6-7-17-13(12-16)10-11-25(20(17)26)15-4-2-14(3-5-15)23-21(27)24-32(28,29)19-9-8-18(22)31-19;21-13-1-6-16-12(11-13)9-10-25(19(16)26)15-4-2-14(3-5-15)23-20(27)24-31(28,29)18-8-7-17(22)30-18;21-17-9-10-18(29-17)30(27,28)23-20(26)22-14-5-7-15(8-6-14)24-12-11-13-3-1-2-4-16(13)19(24)25/h2-15H,1H3,(H2,30,31,34);2-14,29H,1H3,(H2,31,32,35);2*2-10H,11-12H2,1H3,(H2,26,27,31);1-9,25H,10-11H2,(H2,26,27,30);1-10H,(H,24,25)(H2,26,27,30);1-10H,(H2,25,26,29);2-12H,1H3,(H2,23,24,27);1-11H,(H2,23,24,27);1-12H,(H2,22,23,26)
InChIKeyMVFMNXYAKKNGCF-UHFFFAOYSA-N
MW5333.45 g/mol
LogP49.99
Rot. Bonds44

About 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-(6-methyl-1-oxo-4-phenylisoquinolin-2-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-1H-imidazo[4,5-g]isoquinolin-6-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-chloro-1-oxoisoquinolin-2-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-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-methoxy-1-oxoisoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(1-oxoisoquinolin-2-yl)phenyl]urea

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-(6-methyl-1-oxo-4-phenylisoquinolin-2-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-1H-imidazo[4,5-g]isoquinolin-6-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-chloro-1-oxoisoquinolin-2-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-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-methoxy-1-oxoisoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(1-oxoisoquinolin-2-yl)phenyl]urea (PubChem CID 159681207) has the molecular formula C224H158Cl18N38O42S20 and a molecular weight of 5333.45 g/mol. Its IUPAC name is 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-(6-methyl-1-oxo-4-phenylisoquinolin-2-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-1H-imidazo[4,5-g]isoquinolin-6-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-chloro-1-oxoisoquinolin-2-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-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-methoxy-1-oxoisoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(1-oxoisoquinolin-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-[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-(6-methyl-1-oxo-4-phenylisoquinolin-2-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-1H-imidazo[4,5-g]isoquinolin-6-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-chloro-1-oxoisoquinolin-2-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-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-methoxy-1-oxoisoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(1-oxoisoquinolin-2-yl)phenyl]urea
PubChem CID159681207
Molecular FormulaC224H158Cl18N38O42S20
Molecular Weight5333.45 g/mol
Exact Mass5320.02
IUPAC Name1-[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-(6-methyl-1-oxo-4-phenylisoquinolin-2-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-1H-imidazo[4,5-g]isoquinolin-6-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-chloro-1-oxoisoquinolin-2-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-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-methoxy-1-oxoisoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(1-oxoisoquinolin-2-yl)phenyl]urea
SMILESCN1Cc2c(n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3Cl)c(=O)c3ccccc23)C1.CN1Cc2cc3ccn(-c4ccc(NC(=O)NS(=O)(=O)c5ccc(Cl)s5)cc4Cl)c(=O)c3cc2C1.CNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3Cl)cc(-c3ccncc3)c2c1.COc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3)ccc2c1.Cc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3Cl)cc(-c3ccccc3)c2c1.O=C(Nc1ccc(-n2c3c(c4ccccc4c2=O)CNC3)c(Cl)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2ccc3cc(Cl)ccc3c2=O)cc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2ccc3cc4[nH]cnc4cc3c2=O)c(Cl)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2ccc3cc4ncoc4cc3c2=O)c(Cl)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2ccc3ccccc3c2=O)cc1)NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C27H19Cl2N3O4S2.C26H19Cl2N5O4S2.2C23H18Cl2N4O4S2.C22H16Cl2N4O4S2.C21H13Cl2N5O4S2.C21H12Cl2N4O5S2.C21H16ClN3O5S2.C20H13Cl2N3O4S2.C20H14ClN3O4S2/c1-16-7-9-19-20(13-16)21(17-5-3-2-4-6-17)15-32(26(19)33)23-10-8-18(14-22(23)28)30-27(34)31-38(35,36)25-12-11-24(29)37-25;1-29-16-2-4-18-19(12-16)20(15-8-10-30-11-9-15)14-33(25(18)34)22-5-3-17(13-21(22)27)31-26(35)32-39(36,37)24-7-6-23(28)38-24;1-28-11-14-8-13-6-7-29(22(30)17(13)9-15(14)12-28)19-3-2-16(10-18(19)24)26-23(31)27-35(32,33)21-5-4-20(25)34-21;1-28-11-16-14-4-2-3-5-15(14)22(30)29(19(16)12-28)18-7-6-13(10-17(18)24)26-23(31)27-35(32,33)21-9-8-20(25)34-21;23-16-9-12(26-22(30)27-34(31,32)20-8-7-19(24)33-20)5-6-17(16)28-18-11-25-10-15(18)13-3-1-2-4-14(13)21(28)29;22-14-8-12(26-21(30)27-34(31,32)19-4-3-18(23)33-19)1-2-17(14)28-6-5-11-7-15-16(25-10-24-15)9-13(11)20(28)29;22-14-8-12(25-21(29)26-34(30,31)19-4-3-18(23)33-19)1-2-16(14)27-6-5-11-7-15-17(32-10-24-15)9-13(11)20(27)28;1-30-16-6-7-17-13(12-16)10-11-25(20(17)26)15-4-2-14(3-5-15)23-21(27)24-32(28,29)19-9-8-18(22)31-19;21-13-1-6-16-12(11-13)9-10-25(19(16)26)15-4-2-14(3-5-15)23-20(27)24-31(28,29)18-8-7-17(22)30-18;21-17-9-10-18(29-17)30(27,28)23-20(26)22-14-5-7-15(8-6-14)24-12-11-13-3-1-2-4-16(13)19(24)25/h2-15H,1H3,(H2,30,31,34);2-14,29H,1H3,(H2,31,32,35);2*2-10H,11-12H2,1H3,(H2,26,27,31);1-9,25H,10-11H2,(H2,26,27,30);1-10H,(H,24,25)(H2,26,27,30);1-10H,(H2,25,26,29);2-12H,1H3,(H2,23,24,27);1-11H,(H2,23,24,27);1-12H,(H2,22,23,26)
InChIKeyMVFMNXYAKKNGCF-UHFFFAOYSA-N
XLogP49.99
TPSA1080.07 Ų
H-Bond Donors23
H-Bond Acceptors69
Rotatable Bonds44
Heavy Atoms342
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005333.45
LogP ≤ 549.99
H-Bond Donors ≤ 523
H-Bond Acceptors ≤ 1069

Analyze 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-(6-methyl-1-oxo-4-phenylisoquinolin-2-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-1H-imidazo[4,5-g]isoquinolin-6-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-chloro-1-oxoisoquinolin-2-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-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-methoxy-1-oxoisoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(1-oxoisoquinolin-2-yl)phenyl]urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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-(6-methyl-1-oxo-4-phenylisoquinolin-2-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-1H-imidazo[4,5-g]isoquinolin-6-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-chloro-1-oxoisoquinolin-2-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-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-methoxy-1-oxoisoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(1-oxoisoquinolin-2-yl)phenyl]urea?
The IUPAC name of 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-(6-methyl-1-oxo-4-phenylisoquinolin-2-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-1H-imidazo[4,5-g]isoquinolin-6-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-chloro-1-oxoisoquinolin-2-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-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-methoxy-1-oxoisoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(1-oxoisoquinolin-2-yl)phenyl]urea (CID 159681207) is 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-(6-methyl-1-oxo-4-phenylisoquinolin-2-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-1H-imidazo[4,5-g]isoquinolin-6-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-chloro-1-oxoisoquinolin-2-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-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-methoxy-1-oxoisoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(1-oxoisoquinolin-2-yl)phenyl]urea.
What is the SMILES notation for 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-(6-methyl-1-oxo-4-phenylisoquinolin-2-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-1H-imidazo[4,5-g]isoquinolin-6-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-chloro-1-oxoisoquinolin-2-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-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-methoxy-1-oxoisoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(1-oxoisoquinolin-2-yl)phenyl]urea?
The canonical SMILES for 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-(6-methyl-1-oxo-4-phenylisoquinolin-2-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-1H-imidazo[4,5-g]isoquinolin-6-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-chloro-1-oxoisoquinolin-2-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-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-methoxy-1-oxoisoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(1-oxoisoquinolin-2-yl)phenyl]urea is CN1Cc2c(n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3Cl)c(=O)c3ccccc23)C1.CN1Cc2cc3ccn(-c4ccc(NC(=O)NS(=O)(=O)c5ccc(Cl)s5)cc4Cl)c(=O)c3cc2C1.CNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3Cl)cc(-c3ccncc3)c2c1.COc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3)ccc2c1.Cc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3Cl)cc(-c3ccccc3)c2c1.O=C(Nc1ccc(-n2c3c(c4ccccc4c2=O)CNC3)c(Cl)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2ccc3cc(Cl)ccc3c2=O)cc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2ccc3cc4[nH]cnc4cc3c2=O)c(Cl)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2ccc3cc4ncoc4cc3c2=O)c(Cl)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2ccc3ccccc3c2=O)cc1)NS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 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-(6-methyl-1-oxo-4-phenylisoquinolin-2-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-1H-imidazo[4,5-g]isoquinolin-6-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-chloro-1-oxoisoquinolin-2-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-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-methoxy-1-oxoisoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(1-oxoisoquinolin-2-yl)phenyl]urea?
The InChIKey is MVFMNXYAKKNGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19Cl2N3O4S2.C26H19Cl2N5O4S2.2C23H18Cl2N4O4S2.C22H16Cl2N4O4S2.C21H13Cl2N5O4S2.C21H12Cl2N4O5S2.C21H16ClN3O5S2.C20H13Cl2N3O4S2.C20H14ClN3O4S2/c1-16-7-9-19-20(13-16)21(17-5-3-2-4-6-17)15-32(26(19)33)23-10-8-18(14-22(23)28)30-27(34)31-38(35,36)25-12-11-24(29)37-25;1-29-16-2-4-18-19(12-16)20(15-8-10-30-11-9-15)14-33(25(18)34)22-5-3-17(13-21(22)27)31-26(35)32-39(36,37)24-7-6-23(28)38-24;1-28-11-14-8-13-6-7-29(22(30)17(13)9-15(14)12-28)19-3-2-16(10-18(19)24)26-23(31)27-35(32,33)21-5-4-20(25)34-21;1-28-11-16-14-4-2-3-5-15(14)22(30)29(19(16)12-28)18-7-6-13(10-17(18)24)26-23(31)27-35(32,33)21-9-8-20(25)34-21;23-16-9-12(26-22(30)27-34(31,32)20-8-7-19(24)33-20)5-6-17(16)28-18-11-25-10-15(18)13-3-1-2-4-14(13)21(28)29;22-14-8-12(26-21(30)27-34(31,32)19-4-3-18(23)33-19)1-2-17(14)28-6-5-11-7-15-16(25-10-24-15)9-13(11)20(28)29;22-14-8-12(25-21(29)26-34(30,31)19-4-3-18(23)33-19)1-2-16(14)27-6-5-11-7-15-17(32-10-24-15)9-13(11)20(27)28;1-30-16-6-7-17-13(12-16)10-11-25(20(17)26)15-4-2-14(3-5-15)23-21(27)24-32(28,29)19-9-8-18(22)31-19;21-13-1-6-16-12(11-13)9-10-25(19(16)26)15-4-2-14(3-5-15)23-20(27)24-31(28,29)18-8-7-17(22)30-18;21-17-9-10-18(29-17)30(27,28)23-20(26)22-14-5-7-15(8-6-14)24-12-11-13-3-1-2-4-16(13)19(24)25/h2-15H,1H3,(H2,30,31,34);2-14,29H,1H3,(H2,31,32,35);2*2-10H,11-12H2,1H3,(H2,26,27,31);1-9,25H,10-11H2,(H2,26,27,30);1-10H,(H,24,25)(H2,26,27,30);1-10H,(H2,25,26,29);2-12H,1H3,(H2,23,24,27);1-11H,(H2,23,24,27);1-12H,(H2,22,23,26).
What are the key properties of 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-(6-methyl-1-oxo-4-phenylisoquinolin-2-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-1H-imidazo[4,5-g]isoquinolin-6-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-chloro-1-oxoisoquinolin-2-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-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-methoxy-1-oxoisoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(1-oxoisoquinolin-2-yl)phenyl]urea?
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-(6-methyl-1-oxo-4-phenylisoquinolin-2-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-1H-imidazo[4,5-g]isoquinolin-6-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-chloro-1-oxoisoquinolin-2-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-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-methoxy-1-oxoisoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(1-oxoisoquinolin-2-yl)phenyl]urea has a molecular weight of 5333.45 g/mol, XLogP of 49.99, 44 rotatable bonds, 23 hydrogen bond donors, and 69 hydrogen bond acceptors.
Where does this data come from?
All data for 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-(6-methyl-1-oxo-4-phenylisoquinolin-2-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-1H-imidazo[4,5-g]isoquinolin-6-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[4-(6-chloro-1-oxoisoquinolin-2-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-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(6-methoxy-1-oxoisoquinolin-2-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(1-oxoisoquinolin-2-yl)phenyl]urea is sourced from PubChem (CID 159681207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).