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

C134H97Cl7F3N25O28S12 — CID 157436945

IUPAC1-[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
SMILESCN1Cc2cc3ccn(-c4ccc(NC(=O)NS(=O)(=O)c5ccc(Cl)s5)cc4F)c(=O)c3cc2C1.CNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3F)cc(-c3ccccc3)c2c1.CNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3F)cc(-c3ccncc3)c2c1.COc1ccc2c(c1)CC(=O)N(c1ccc(NC(=O)NS(=O)(=O)c3ccc(Cl)s3)cn1)C2=O.O=C(Nc1ccc(N2C(=O)Cc3cc(Cl)ccc3C2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(N2C(=O)Cc3ccccc3C2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C27H20ClFN4O4S2.C26H19ClFN5O4S2.C23H18ClFN4O4S2.C20H15ClN4O6S2.C19H12Cl2N4O5S2.C19H13ClN4O5S2/c1-30-17-7-9-19-20(13-17)21(16-5-3-2-4-6-16)15-33(26(19)34)23-10-8-18(14-22(23)29)31-27(35)32-39(36,37)25-12-11-24(28)38-25;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)28)31-26(35)32-39(36,37)24-7-6-23(27)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)25)26-23(31)27-35(32,33)21-5-4-20(24)34-21;1-31-13-3-4-14-11(8-13)9-17(26)25(19(14)27)16-6-2-12(10-22-16)23-20(28)24-33(29,30)18-7-5-15(21)32-18;20-11-1-3-13-10(7-11)8-16(26)25(18(13)27)15-5-2-12(9-22-15)23-19(28)24-32(29,30)17-6-4-14(21)31-17;20-14-6-8-17(30-14)31(28,29)23-19(27)22-12-5-7-15(21-10-12)24-16(25)9-11-3-1-2-4-13(11)18(24)26/h2-15,30H,1H3,(H2,31,32,35);2-14,29H,1H3,(H2,31,32,35);2-10H,11-12H2,1H3,(H2,26,27,31);2-8,10H,9H2,1H3,(H2,23,24,28);1-7,9H,8H2,(H2,23,24,28);1-8,10H,9H2,(H2,22,23,27)
InChIKeyBRFHMFRUOFOFCG-UHFFFAOYSA-N
MW3195.37 g/mol
LogP25.59
Rot. Bonds29

About 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

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 (PubChem CID 157436945) has the molecular formula C134H97Cl7F3N25O28S12 and a molecular weight of 3195.37 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID157436945
Molecular FormulaC134H97Cl7F3N25O28S12
Molecular Weight3195.37 g/mol
Exact Mass3189.14
IUPAC Name1-[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
SMILESCN1Cc2cc3ccn(-c4ccc(NC(=O)NS(=O)(=O)c5ccc(Cl)s5)cc4F)c(=O)c3cc2C1.CNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3F)cc(-c3ccccc3)c2c1.CNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3F)cc(-c3ccncc3)c2c1.COc1ccc2c(c1)CC(=O)N(c1ccc(NC(=O)NS(=O)(=O)c3ccc(Cl)s3)cn1)C2=O.O=C(Nc1ccc(N2C(=O)Cc3cc(Cl)ccc3C2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(N2C(=O)Cc3ccccc3C2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C27H20ClFN4O4S2.C26H19ClFN5O4S2.C23H18ClFN4O4S2.C20H15ClN4O6S2.C19H12Cl2N4O5S2.C19H13ClN4O5S2/c1-30-17-7-9-19-20(13-17)21(16-5-3-2-4-6-16)15-33(26(19)34)23-10-8-18(14-22(23)29)31-27(35)32-39(36,37)25-12-11-24(28)38-25;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)28)31-26(35)32-39(36,37)24-7-6-23(27)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)25)26-23(31)27-35(32,33)21-5-4-20(24)34-21;1-31-13-3-4-14-11(8-13)9-17(26)25(19(14)27)16-6-2-12(10-22-16)23-20(28)24-33(29,30)18-7-5-15(21)32-18;20-11-1-3-13-10(7-11)8-16(26)25(18(13)27)15-5-2-12(9-22-15)23-19(28)24-32(29,30)17-6-4-14(21)31-17;20-14-6-8-17(30-14)31(28,29)23-19(27)22-12-5-7-15(21-10-12)24-16(25)9-11-3-1-2-4-13(11)18(24)26/h2-15,30H,1H3,(H2,31,32,35);2-14,29H,1H3,(H2,31,32,35);2-10H,11-12H2,1H3,(H2,26,27,31);2-8,10H,9H2,1H3,(H2,23,24,28);1-7,9H,8H2,(H2,23,24,28);1-8,10H,9H2,(H2,22,23,27)
InChIKeyBRFHMFRUOFOFCG-UHFFFAOYSA-N
XLogP25.59
TPSA717.85 Ų
H-Bond Donors14
H-Bond Acceptors44
Rotatable Bonds29
Heavy Atoms209
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003195.37
LogP ≤ 525.59
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN1Cc2cc3ccn(-c4ccc(NC(=O)NS(=O)(=O)c5ccc(Cl)s5)cc4F)c(=O)c3cc2C1.CNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3F)cc(-c3ccccc3)c2c1.CNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3F)cc(-c3ccncc3)c2c1.COc1ccc2c(c1)CC(=O)N(c1ccc(NC(=O)NS(=O)(=O)c3ccc(Cl)s3)cn1)C2=O.O=C(Nc1ccc(N2C(=O)Cc3cc(Cl)ccc3C2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(N2C(=O)Cc3ccccc3C2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 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?
The InChIKey is BRFHMFRUOFOFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20ClFN4O4S2.C26H19ClFN5O4S2.C23H18ClFN4O4S2.C20H15ClN4O6S2.C19H12Cl2N4O5S2.C19H13ClN4O5S2/c1-30-17-7-9-19-20(13-17)21(16-5-3-2-4-6-16)15-33(26(19)34)23-10-8-18(14-22(23)29)31-27(35)32-39(36,37)25-12-11-24(28)38-25;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)28)31-26(35)32-39(36,37)24-7-6-23(27)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)25)26-23(31)27-35(32,33)21-5-4-20(24)34-21;1-31-13-3-4-14-11(8-13)9-17(26)25(19(14)27)16-6-2-12(10-22-16)23-20(28)24-33(29,30)18-7-5-15(21)32-18;20-11-1-3-13-10(7-11)8-16(26)25(18(13)27)15-5-2-12(9-22-15)23-19(28)24-32(29,30)17-6-4-14(21)31-17;20-14-6-8-17(30-14)31(28,29)23-19(27)22-12-5-7-15(21-10-12)24-16(25)9-11-3-1-2-4-13(11)18(24)26/h2-15,30H,1H3,(H2,31,32,35);2-14,29H,1H3,(H2,31,32,35);2-10H,11-12H2,1H3,(H2,26,27,31);2-8,10H,9H2,1H3,(H2,23,24,28);1-7,9H,8H2,(H2,23,24,28);1-8,10H,9H2,(H2,22,23,27).
What are the key properties of 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?
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 has a molecular weight of 3195.37 g/mol, XLogP of 25.59, 29 rotatable bonds, 14 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157436945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).