1-[3-chloro-4-[6-(3-morpholin-4-ylpropylamino)-1-oxoisoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[1-oxo-6-(3-piperidin-1-ylpropylamino)isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[1-oxo-6-(3-pyrrolidin-1-ylpropylamino)isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;2-[4-[(5-chlorothiophen-2-yl)sulfonylcarbamoylamino]phenyl]-6-(methylamino)-1-oxoisoquinoline-4-carboxamide;1-[4-[4-cyano-6-(methylamino)-1-oxoisoquinolin-2-yl]phenyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea;2-[4-[(4,5-dichlorothiophen-2-yl)sulfonylcarbamoylamino]phenyl]-4-hydroxy-1-oxoisoquinoline-3-carboxamide;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[4-[6-(methylamino)-4-nitro-1-oxoisoquinolin-2-yl]phenyl]urea

C168H145Cl13N34O34S14 — CID 162165135

IUPAC1-[3-chloro-4-[6-(3-morpholin-4-ylpropylamino)-1-oxoisoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[1-oxo-6-(3-piperidin-1-ylpropylamino)isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[1-oxo-6-(3-pyrrolidin-1-ylpropylamino)isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;2-[4-[(5-chlorothiophen-2-yl)sulfonylcarbamoylamino]phenyl]-6-(methylamino)-1-oxoisoquinoline-4-carboxamide;1-[4-[4-cyano-6-(methylamino)-1-oxoisoquinolin-2-yl]phenyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea;2-[4-[(4,5-dichlorothiophen-2-yl)sulfonylcarbamoylamino]phenyl]-4-hydroxy-1-oxoisoquinoline-3-carboxamide;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[4-[6-(methylamino)-4-nitro-1-oxoisoquinolin-2-yl]phenyl]urea
SMILESCNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4cc(Cl)c(Cl)s4)cc3)cc(C#N)c2c1.CNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4cc(Cl)c(Cl)s4)cc3)cc([N+](=O)[O-])c2c1.CNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3)cc(C(N)=O)c2c1.NC(=O)c1c(O)c2ccccc2c(=O)n1-c1ccc(NC(=O)NS(=O)(=O)c2cc(Cl)c(Cl)s2)cc1.O=C(Nc1ccc(-n2ccc3cc(NCCCN4CCCC4)ccc3c2=O)c(Cl)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2ccc3cc(NCCCN4CCCCC4)ccc3c2=O)c(Cl)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2ccc3cc(NCCCN4CCOCC4)ccc3c2=O)c(Cl)c1)NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C28H29Cl2N5O4S2.C27H27Cl2N5O5S2.C27H27Cl2N5O4S2.C22H15Cl2N5O4S2.C22H18ClN5O5S2.C21H15Cl2N5O6S2.C21H14Cl2N4O6S2/c29-23-18-21(32-28(37)33-41(38,39)26-10-9-25(30)40-26)6-8-24(23)35-16-11-19-17-20(5-7-22(19)27(35)36)31-12-4-15-34-13-2-1-3-14-34;28-22-17-20(31-27(36)32-41(37,38)25-7-6-24(29)40-25)3-5-23(22)34-11-8-18-16-19(2-4-21(18)26(34)35)30-9-1-10-33-12-14-39-15-13-33;28-22-17-20(31-27(36)32-40(37,38)25-9-8-24(29)39-25)5-7-23(22)34-15-10-18-16-19(4-6-21(18)26(34)35)30-11-3-14-33-12-1-2-13-33;1-26-14-4-7-16-17(8-14)12(10-25)11-29(21(16)30)15-5-2-13(3-6-15)27-22(31)28-35(32,33)19-9-18(23)20(24)34-19;1-25-13-4-7-15-16(10-13)17(20(24)29)11-28(21(15)30)14-5-2-12(3-6-14)26-22(31)27-35(32,33)19-9-8-18(23)34-19;1-24-12-4-7-14-15(8-12)17(28(31)32)10-27(20(14)29)13-5-2-11(3-6-13)25-21(30)26-36(33,34)18-9-16(22)19(23)35-18;22-14-9-15(34-18(14)23)35(32,33)26-21(31)25-10-5-7-11(8-6-10)27-16(19(24)29)17(28)12-3-1-2-4-13(12)20(27)30/h5-11,16-18,31H,1-4,12-15H2,(H2,32,33,37);2-8,11,16-17,30H,1,9-10,12-15H2,(H2,31,32,36);4-10,15-17,30H,1-3,11-14H2,(H2,31,32,36);2-9,11,26H,1H3,(H2,27,28,31);2-11,25H,1H3,(H2,24,29)(H2,26,27,31);2-10,24H,1H3,(H2,25,26,30);1-9,28H,(H2,24,29)(H2,25,26,31)
InChIKeyZNAGWNTUYWPDSO-UHFFFAOYSA-N
MW4094.04 g/mol
LogP33.56
Rot. Bonds49

About 1-[3-chloro-4-[6-(3-morpholin-4-ylpropylamino)-1-oxoisoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[1-oxo-6-(3-piperidin-1-ylpropylamino)isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[1-oxo-6-(3-pyrrolidin-1-ylpropylamino)isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;2-[4-[(5-chlorothiophen-2-yl)sulfonylcarbamoylamino]phenyl]-6-(methylamino)-1-oxoisoquinoline-4-carboxamide;1-[4-[4-cyano-6-(methylamino)-1-oxoisoquinolin-2-yl]phenyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea;2-[4-[(4,5-dichlorothiophen-2-yl)sulfonylcarbamoylamino]phenyl]-4-hydroxy-1-oxoisoquinoline-3-carboxamide;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[4-[6-(methylamino)-4-nitro-1-oxoisoquinolin-2-yl]phenyl]urea

1-[3-chloro-4-[6-(3-morpholin-4-ylpropylamino)-1-oxoisoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[1-oxo-6-(3-piperidin-1-ylpropylamino)isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[1-oxo-6-(3-pyrrolidin-1-ylpropylamino)isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;2-[4-[(5-chlorothiophen-2-yl)sulfonylcarbamoylamino]phenyl]-6-(methylamino)-1-oxoisoquinoline-4-carboxamide;1-[4-[4-cyano-6-(methylamino)-1-oxoisoquinolin-2-yl]phenyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea;2-[4-[(4,5-dichlorothiophen-2-yl)sulfonylcarbamoylamino]phenyl]-4-hydroxy-1-oxoisoquinoline-3-carboxamide;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[4-[6-(methylamino)-4-nitro-1-oxoisoquinolin-2-yl]phenyl]urea (PubChem CID 162165135) has the molecular formula C168H145Cl13N34O34S14 and a molecular weight of 4094.04 g/mol. Its IUPAC name is 1-[3-chloro-4-[6-(3-morpholin-4-ylpropylamino)-1-oxoisoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[1-oxo-6-(3-piperidin-1-ylpropylamino)isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[1-oxo-6-(3-pyrrolidin-1-ylpropylamino)isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;2-[4-[(5-chlorothiophen-2-yl)sulfonylcarbamoylamino]phenyl]-6-(methylamino)-1-oxoisoquinoline-4-carboxamide;1-[4-[4-cyano-6-(methylamino)-1-oxoisoquinolin-2-yl]phenyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea;2-[4-[(4,5-dichlorothiophen-2-yl)sulfonylcarbamoylamino]phenyl]-4-hydroxy-1-oxoisoquinoline-3-carboxamide;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[4-[6-(methylamino)-4-nitro-1-oxoisoquinolin-2-yl]phenyl]urea.

Molecular Properties

Compound Name1-[3-chloro-4-[6-(3-morpholin-4-ylpropylamino)-1-oxoisoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[1-oxo-6-(3-piperidin-1-ylpropylamino)isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[1-oxo-6-(3-pyrrolidin-1-ylpropylamino)isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;2-[4-[(5-chlorothiophen-2-yl)sulfonylcarbamoylamino]phenyl]-6-(methylamino)-1-oxoisoquinoline-4-carboxamide;1-[4-[4-cyano-6-(methylamino)-1-oxoisoquinolin-2-yl]phenyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea;2-[4-[(4,5-dichlorothiophen-2-yl)sulfonylcarbamoylamino]phenyl]-4-hydroxy-1-oxoisoquinoline-3-carboxamide;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[4-[6-(methylamino)-4-nitro-1-oxoisoquinolin-2-yl]phenyl]urea
PubChem CID162165135
Molecular FormulaC168H145Cl13N34O34S14
Molecular Weight4094.04 g/mol
Exact Mass4084.27
IUPAC Name1-[3-chloro-4-[6-(3-morpholin-4-ylpropylamino)-1-oxoisoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[1-oxo-6-(3-piperidin-1-ylpropylamino)isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[1-oxo-6-(3-pyrrolidin-1-ylpropylamino)isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;2-[4-[(5-chlorothiophen-2-yl)sulfonylcarbamoylamino]phenyl]-6-(methylamino)-1-oxoisoquinoline-4-carboxamide;1-[4-[4-cyano-6-(methylamino)-1-oxoisoquinolin-2-yl]phenyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea;2-[4-[(4,5-dichlorothiophen-2-yl)sulfonylcarbamoylamino]phenyl]-4-hydroxy-1-oxoisoquinoline-3-carboxamide;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[4-[6-(methylamino)-4-nitro-1-oxoisoquinolin-2-yl]phenyl]urea
SMILESCNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4cc(Cl)c(Cl)s4)cc3)cc(C#N)c2c1.CNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4cc(Cl)c(Cl)s4)cc3)cc([N+](=O)[O-])c2c1.CNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3)cc(C(N)=O)c2c1.NC(=O)c1c(O)c2ccccc2c(=O)n1-c1ccc(NC(=O)NS(=O)(=O)c2cc(Cl)c(Cl)s2)cc1.O=C(Nc1ccc(-n2ccc3cc(NCCCN4CCCC4)ccc3c2=O)c(Cl)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2ccc3cc(NCCCN4CCCCC4)ccc3c2=O)c(Cl)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2ccc3cc(NCCCN4CCOCC4)ccc3c2=O)c(Cl)c1)NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C28H29Cl2N5O4S2.C27H27Cl2N5O5S2.C27H27Cl2N5O4S2.C22H15Cl2N5O4S2.C22H18ClN5O5S2.C21H15Cl2N5O6S2.C21H14Cl2N4O6S2/c29-23-18-21(32-28(37)33-41(38,39)26-10-9-25(30)40-26)6-8-24(23)35-16-11-19-17-20(5-7-22(19)27(35)36)31-12-4-15-34-13-2-1-3-14-34;28-22-17-20(31-27(36)32-41(37,38)25-7-6-24(29)40-25)3-5-23(22)34-11-8-18-16-19(2-4-21(18)26(34)35)30-9-1-10-33-12-14-39-15-13-33;28-22-17-20(31-27(36)32-40(37,38)25-9-8-24(29)39-25)5-7-23(22)34-15-10-18-16-19(4-6-21(18)26(34)35)30-11-3-14-33-12-1-2-13-33;1-26-14-4-7-16-17(8-14)12(10-25)11-29(21(16)30)15-5-2-13(3-6-15)27-22(31)28-35(32,33)19-9-18(23)20(24)34-19;1-25-13-4-7-15-16(10-13)17(20(24)29)11-28(21(15)30)14-5-2-12(3-6-14)26-22(31)27-35(32,33)19-9-8-18(23)34-19;1-24-12-4-7-14-15(8-12)17(28(31)32)10-27(20(14)29)13-5-2-11(3-6-13)25-21(30)26-36(33,34)18-9-16(22)19(23)35-18;22-14-9-15(34-18(14)23)35(32,33)26-21(31)25-10-5-7-11(8-6-10)27-16(19(24)29)17(28)12-3-1-2-4-13(12)20(27)30/h5-11,16-18,31H,1-4,12-15H2,(H2,32,33,37);2-8,11,16-17,30H,1,9-10,12-15H2,(H2,31,32,36);4-10,15-17,30H,1-3,11-14H2,(H2,31,32,36);2-9,11,26H,1H3,(H2,27,28,31);2-11,25H,1H3,(H2,24,29)(H2,26,27,31);2-10,24H,1H3,(H2,25,26,30);1-9,28H,(H2,24,29)(H2,25,26,31)
InChIKeyZNAGWNTUYWPDSO-UHFFFAOYSA-N
XLogP33.56
TPSA945.36 Ų
H-Bond Donors23
H-Bond Acceptors58
Rotatable Bonds49
Heavy Atoms263
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004094.04
LogP ≤ 533.56
H-Bond Donors ≤ 523
H-Bond Acceptors ≤ 1058

Analyze 1-[3-chloro-4-[6-(3-morpholin-4-ylpropylamino)-1-oxoisoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[1-oxo-6-(3-piperidin-1-ylpropylamino)isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[1-oxo-6-(3-pyrrolidin-1-ylpropylamino)isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;2-[4-[(5-chlorothiophen-2-yl)sulfonylcarbamoylamino]phenyl]-6-(methylamino)-1-oxoisoquinoline-4-carboxamide;1-[4-[4-cyano-6-(methylamino)-1-oxoisoquinolin-2-yl]phenyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea;2-[4-[(4,5-dichlorothiophen-2-yl)sulfonylcarbamoylamino]phenyl]-4-hydroxy-1-oxoisoquinoline-3-carboxamide;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[4-[6-(methylamino)-4-nitro-1-oxoisoquinolin-2-yl]phenyl]urea with MolForge

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Related Compounds

1-[3-chloro-4-[6-(2-morpholin-4-ylethylamino)-1-oxoisoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea
CID 20799127
1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[1-oxo-6-(2-piperidin-1-ylethylamino)isoquinolin-2-yl]phenyl]urea
CID 20799673
1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-[2-(dimethylamino)ethylamino]-1-oxoisoquinolin-2-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-(2-morpholin-4-ylethylamino)-1-oxoisoquinolin-2-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[1-oxo-6-(2-piperidin-1-ylethylamino)isoquinolin-2-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[1-oxo-6-(propylamino)isoquinolin-2-yl]phenyl]urea
CID 160640885
1-[4-[4-cyano-6-(methylamino)-1-oxoisoquinolin-2-yl]phenyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea
CID 20799228
1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[6-(1-methyl-4,5-dihydroimidazol-2-yl)-1-oxoisoquinolin-2-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[6-(2-morpholin-4-ylethylamino)-1-oxoisoquinolin-2-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[1-oxo-6-(2-piperidin-1-ylethylamino)isoquinolin-2-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[1-oxo-6-(2-pyrrolidin-1-ylethylamino)isoquinolin-2-yl]phenyl]urea
CID 160775076
2-[5-[(5-chlorothiophen-2-yl)sulfonylcarbamoylamino]-2-pyridinyl]-N-[2-(dimethylamino)ethyl]-6-(methylamino)-1-oxoisoquinoline-4-carboxamide;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-cyano-6-(methylamino)-1-oxoisoquinolin-2-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[6-(methylamino)-4-methylsulfonyl-1-oxoisoquinolin-2-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[6-(methylamino)-4-nitro-1-oxoisoquinolin-2-yl]-3-pyridinyl]urea;methyl 2-[5-[(5-chlorothiophen-2-yl)sulfonylcarbamoylamino]-2-pyridinyl]-6-(methylamino)-1-oxoisoquinoline-4-carboxylate
CID 161442566
1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(2-morpholin-4-ylethylamino)-4-oxoquinazolin-3-yl]phenyl]urea
CID 20799800
1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-(4,5-dihydro-1,3-oxazol-2-yl)-1-oxoisoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[6-(1-methyl-4,5-dihydroimidazol-2-yl)-1-oxoisoquinolin-2-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[6-(2-morpholin-4-ylethylamino)-1-oxoisoquinolin-2-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(5-oxo-2,3-dihydro-1H-pyrrolo[2,3-g]isoquinolin-6-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[1-oxo-6-(2-pyrrolidin-1-ylethylamino)isoquinolin-2-yl]phenyl]urea
CID 157266968
2-[4-[(5-chlorothiophen-2-yl)sulfonylcarbamoylamino]-2-fluorophenyl]-3-hydroxy-6-(methylamino)-N-(2-morpholin-4-ylethyl)-1-oxoisoquinoline-4-carboxamide
CID 136646933
2-[2-chloro-4-[(5-chlorothiophen-2-yl)sulfonylcarbamoylamino]phenyl]-N-[2-(dimethylamino)ethyl]-6-(methylamino)-1-oxoisoquinoline-4-carboxamide;2-[2-chloro-4-[(5-chlorothiophen-2-yl)sulfonylcarbamoylamino]phenyl]-6-(methylamino)-N-(2-morpholin-4-ylethyl)-1-oxoisoquinoline-4-carboxamide;2-[2-chloro-4-[(5-chlorothiophen-2-yl)sulfonylcarbamoylamino]phenyl]-6-(methylamino)-1-oxo-N-(2-pyrrolidin-1-ylethyl)isoquinoline-4-carboxamide;1-[3-chloro-4-[4-[(dimethylamino)methyl]-6-(methylamino)-1-oxoisoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[6-(methylamino)-4-methylsulfonyl-1-oxoisoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;bis(1-[3-chloro-4-(5-oxo-1H-imidazo[4,5-g]isoquinolin-6-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea);1-[3-chloro-4-(5-oxo-[1,3]thiazolo[4,5-g]isoquinolin-6-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea
CID 162139823
1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-(methylamino)-1-oxo-4-phenylisoquinolin-2-yl]phenyl]urea
CID 10231468
1-[3-chloro-4-(2-methyl-5-oxo-1,3-dihydropyrrolo[3,4-g]isoquinolin-6-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea
CID 20800220

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-[6-(3-morpholin-4-ylpropylamino)-1-oxoisoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[1-oxo-6-(3-piperidin-1-ylpropylamino)isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[1-oxo-6-(3-pyrrolidin-1-ylpropylamino)isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;2-[4-[(5-chlorothiophen-2-yl)sulfonylcarbamoylamino]phenyl]-6-(methylamino)-1-oxoisoquinoline-4-carboxamide;1-[4-[4-cyano-6-(methylamino)-1-oxoisoquinolin-2-yl]phenyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea;2-[4-[(4,5-dichlorothiophen-2-yl)sulfonylcarbamoylamino]phenyl]-4-hydroxy-1-oxoisoquinoline-3-carboxamide;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[4-[6-(methylamino)-4-nitro-1-oxoisoquinolin-2-yl]phenyl]urea?
The IUPAC name of 1-[3-chloro-4-[6-(3-morpholin-4-ylpropylamino)-1-oxoisoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[1-oxo-6-(3-piperidin-1-ylpropylamino)isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[1-oxo-6-(3-pyrrolidin-1-ylpropylamino)isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;2-[4-[(5-chlorothiophen-2-yl)sulfonylcarbamoylamino]phenyl]-6-(methylamino)-1-oxoisoquinoline-4-carboxamide;1-[4-[4-cyano-6-(methylamino)-1-oxoisoquinolin-2-yl]phenyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea;2-[4-[(4,5-dichlorothiophen-2-yl)sulfonylcarbamoylamino]phenyl]-4-hydroxy-1-oxoisoquinoline-3-carboxamide;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[4-[6-(methylamino)-4-nitro-1-oxoisoquinolin-2-yl]phenyl]urea (CID 162165135) is 1-[3-chloro-4-[6-(3-morpholin-4-ylpropylamino)-1-oxoisoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[1-oxo-6-(3-piperidin-1-ylpropylamino)isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[1-oxo-6-(3-pyrrolidin-1-ylpropylamino)isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;2-[4-[(5-chlorothiophen-2-yl)sulfonylcarbamoylamino]phenyl]-6-(methylamino)-1-oxoisoquinoline-4-carboxamide;1-[4-[4-cyano-6-(methylamino)-1-oxoisoquinolin-2-yl]phenyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea;2-[4-[(4,5-dichlorothiophen-2-yl)sulfonylcarbamoylamino]phenyl]-4-hydroxy-1-oxoisoquinoline-3-carboxamide;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[4-[6-(methylamino)-4-nitro-1-oxoisoquinolin-2-yl]phenyl]urea.
What is the SMILES notation for 1-[3-chloro-4-[6-(3-morpholin-4-ylpropylamino)-1-oxoisoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[1-oxo-6-(3-piperidin-1-ylpropylamino)isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[1-oxo-6-(3-pyrrolidin-1-ylpropylamino)isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;2-[4-[(5-chlorothiophen-2-yl)sulfonylcarbamoylamino]phenyl]-6-(methylamino)-1-oxoisoquinoline-4-carboxamide;1-[4-[4-cyano-6-(methylamino)-1-oxoisoquinolin-2-yl]phenyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea;2-[4-[(4,5-dichlorothiophen-2-yl)sulfonylcarbamoylamino]phenyl]-4-hydroxy-1-oxoisoquinoline-3-carboxamide;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[4-[6-(methylamino)-4-nitro-1-oxoisoquinolin-2-yl]phenyl]urea?
The canonical SMILES for 1-[3-chloro-4-[6-(3-morpholin-4-ylpropylamino)-1-oxoisoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[1-oxo-6-(3-piperidin-1-ylpropylamino)isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[1-oxo-6-(3-pyrrolidin-1-ylpropylamino)isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;2-[4-[(5-chlorothiophen-2-yl)sulfonylcarbamoylamino]phenyl]-6-(methylamino)-1-oxoisoquinoline-4-carboxamide;1-[4-[4-cyano-6-(methylamino)-1-oxoisoquinolin-2-yl]phenyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea;2-[4-[(4,5-dichlorothiophen-2-yl)sulfonylcarbamoylamino]phenyl]-4-hydroxy-1-oxoisoquinoline-3-carboxamide;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[4-[6-(methylamino)-4-nitro-1-oxoisoquinolin-2-yl]phenyl]urea is CNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4cc(Cl)c(Cl)s4)cc3)cc(C#N)c2c1.CNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4cc(Cl)c(Cl)s4)cc3)cc([N+](=O)[O-])c2c1.CNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3)cc(C(N)=O)c2c1.NC(=O)c1c(O)c2ccccc2c(=O)n1-c1ccc(NC(=O)NS(=O)(=O)c2cc(Cl)c(Cl)s2)cc1.O=C(Nc1ccc(-n2ccc3cc(NCCCN4CCCC4)ccc3c2=O)c(Cl)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2ccc3cc(NCCCN4CCCCC4)ccc3c2=O)c(Cl)c1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2ccc3cc(NCCCN4CCOCC4)ccc3c2=O)c(Cl)c1)NS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 1-[3-chloro-4-[6-(3-morpholin-4-ylpropylamino)-1-oxoisoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[1-oxo-6-(3-piperidin-1-ylpropylamino)isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[1-oxo-6-(3-pyrrolidin-1-ylpropylamino)isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;2-[4-[(5-chlorothiophen-2-yl)sulfonylcarbamoylamino]phenyl]-6-(methylamino)-1-oxoisoquinoline-4-carboxamide;1-[4-[4-cyano-6-(methylamino)-1-oxoisoquinolin-2-yl]phenyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea;2-[4-[(4,5-dichlorothiophen-2-yl)sulfonylcarbamoylamino]phenyl]-4-hydroxy-1-oxoisoquinoline-3-carboxamide;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[4-[6-(methylamino)-4-nitro-1-oxoisoquinolin-2-yl]phenyl]urea?
The InChIKey is ZNAGWNTUYWPDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29Cl2N5O4S2.C27H27Cl2N5O5S2.C27H27Cl2N5O4S2.C22H15Cl2N5O4S2.C22H18ClN5O5S2.C21H15Cl2N5O6S2.C21H14Cl2N4O6S2/c29-23-18-21(32-28(37)33-41(38,39)26-10-9-25(30)40-26)6-8-24(23)35-16-11-19-17-20(5-7-22(19)27(35)36)31-12-4-15-34-13-2-1-3-14-34;28-22-17-20(31-27(36)32-41(37,38)25-7-6-24(29)40-25)3-5-23(22)34-11-8-18-16-19(2-4-21(18)26(34)35)30-9-1-10-33-12-14-39-15-13-33;28-22-17-20(31-27(36)32-40(37,38)25-9-8-24(29)39-25)5-7-23(22)34-15-10-18-16-19(4-6-21(18)26(34)35)30-11-3-14-33-12-1-2-13-33;1-26-14-4-7-16-17(8-14)12(10-25)11-29(21(16)30)15-5-2-13(3-6-15)27-22(31)28-35(32,33)19-9-18(23)20(24)34-19;1-25-13-4-7-15-16(10-13)17(20(24)29)11-28(21(15)30)14-5-2-12(3-6-14)26-22(31)27-35(32,33)19-9-8-18(23)34-19;1-24-12-4-7-14-15(8-12)17(28(31)32)10-27(20(14)29)13-5-2-11(3-6-13)25-21(30)26-36(33,34)18-9-16(22)19(23)35-18;22-14-9-15(34-18(14)23)35(32,33)26-21(31)25-10-5-7-11(8-6-10)27-16(19(24)29)17(28)12-3-1-2-4-13(12)20(27)30/h5-11,16-18,31H,1-4,12-15H2,(H2,32,33,37);2-8,11,16-17,30H,1,9-10,12-15H2,(H2,31,32,36);4-10,15-17,30H,1-3,11-14H2,(H2,31,32,36);2-9,11,26H,1H3,(H2,27,28,31);2-11,25H,1H3,(H2,24,29)(H2,26,27,31);2-10,24H,1H3,(H2,25,26,30);1-9,28H,(H2,24,29)(H2,25,26,31).
What are the key properties of 1-[3-chloro-4-[6-(3-morpholin-4-ylpropylamino)-1-oxoisoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[1-oxo-6-(3-piperidin-1-ylpropylamino)isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[1-oxo-6-(3-pyrrolidin-1-ylpropylamino)isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;2-[4-[(5-chlorothiophen-2-yl)sulfonylcarbamoylamino]phenyl]-6-(methylamino)-1-oxoisoquinoline-4-carboxamide;1-[4-[4-cyano-6-(methylamino)-1-oxoisoquinolin-2-yl]phenyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea;2-[4-[(4,5-dichlorothiophen-2-yl)sulfonylcarbamoylamino]phenyl]-4-hydroxy-1-oxoisoquinoline-3-carboxamide;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[4-[6-(methylamino)-4-nitro-1-oxoisoquinolin-2-yl]phenyl]urea?
1-[3-chloro-4-[6-(3-morpholin-4-ylpropylamino)-1-oxoisoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[1-oxo-6-(3-piperidin-1-ylpropylamino)isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[1-oxo-6-(3-pyrrolidin-1-ylpropylamino)isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;2-[4-[(5-chlorothiophen-2-yl)sulfonylcarbamoylamino]phenyl]-6-(methylamino)-1-oxoisoquinoline-4-carboxamide;1-[4-[4-cyano-6-(methylamino)-1-oxoisoquinolin-2-yl]phenyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea;2-[4-[(4,5-dichlorothiophen-2-yl)sulfonylcarbamoylamino]phenyl]-4-hydroxy-1-oxoisoquinoline-3-carboxamide;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[4-[6-(methylamino)-4-nitro-1-oxoisoquinolin-2-yl]phenyl]urea has a molecular weight of 4094.04 g/mol, XLogP of 33.56, 49 rotatable bonds, 23 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-[6-(3-morpholin-4-ylpropylamino)-1-oxoisoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[1-oxo-6-(3-piperidin-1-ylpropylamino)isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[1-oxo-6-(3-pyrrolidin-1-ylpropylamino)isoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;2-[4-[(5-chlorothiophen-2-yl)sulfonylcarbamoylamino]phenyl]-6-(methylamino)-1-oxoisoquinoline-4-carboxamide;1-[4-[4-cyano-6-(methylamino)-1-oxoisoquinolin-2-yl]phenyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea;2-[4-[(4,5-dichlorothiophen-2-yl)sulfonylcarbamoylamino]phenyl]-4-hydroxy-1-oxoisoquinoline-3-carboxamide;1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[4-[6-(methylamino)-4-nitro-1-oxoisoquinolin-2-yl]phenyl]urea is sourced from PubChem (CID 162165135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).