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

C119H90Cl5N21O21S10 — CID 159522823

IUPAC1-(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
SMILESCN1Cc2cc3ccn(-c4ccc(NC(=O)NS(=O)(=O)c5ccc(Cl)s5)cc4)c(=O)c3cc2C1.CNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3)cc(-c3ccccc3)c2c1.CNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3)cc(-c3ccncc3)c2c1.O=C(Nc1ccc(-n2c3c(c4ccccc4c2=O)CNC3)cc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2ccc3cc4ncoc4cc3c2=O)cc1)NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C27H21ClN4O4S2.C26H20ClN5O4S2.C23H19ClN4O4S2.C22H17ClN4O4S2.C21H13ClN4O5S2/c1-29-19-9-12-21-22(15-19)23(17-5-3-2-4-6-17)16-32(26(21)33)20-10-7-18(8-11-20)30-27(34)31-38(35,36)25-14-13-24(28)37-25;1-28-18-4-7-20-21(14-18)22(16-10-12-29-13-11-16)15-32(25(20)33)19-5-2-17(3-6-19)30-26(34)31-38(35,36)24-9-8-23(27)37-24;1-27-12-15-10-14-8-9-28(22(29)19(14)11-16(15)13-27)18-4-2-17(3-5-18)25-23(30)26-34(31,32)21-7-6-20(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;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/h2-16,29H,1H3,(H2,30,31,34);2-15,28H,1H3,(H2,30,31,34);2-11H,12-13H2,1H3,(H2,25,26,30);1-10,24H,11-12H2,(H2,25,26,29);1-11H,(H2,24,25,28)
InChIKeyMCAGDYXXWOKIGC-UHFFFAOYSA-N
MW2648.09 g/mol
LogP23.58
Rot. Bonds24

About 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

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 (PubChem CID 159522823) has the molecular formula C119H90Cl5N21O21S10 and a molecular weight of 2648.09 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID159522823
Molecular FormulaC119H90Cl5N21O21S10
Molecular Weight2648.09 g/mol
Exact Mass2643.23
IUPAC Name1-(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
SMILESCN1Cc2cc3ccn(-c4ccc(NC(=O)NS(=O)(=O)c5ccc(Cl)s5)cc4)c(=O)c3cc2C1.CNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3)cc(-c3ccccc3)c2c1.CNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3)cc(-c3ccncc3)c2c1.O=C(Nc1ccc(-n2c3c(c4ccccc4c2=O)CNC3)cc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2ccc3cc4ncoc4cc3c2=O)cc1)NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C27H21ClN4O4S2.C26H20ClN5O4S2.C23H19ClN4O4S2.C22H17ClN4O4S2.C21H13ClN4O5S2/c1-29-19-9-12-21-22(15-19)23(17-5-3-2-4-6-17)16-32(26(21)33)20-10-7-18(8-11-20)30-27(34)31-38(35,36)25-14-13-24(28)37-25;1-28-18-4-7-20-21(14-18)22(16-10-12-29-13-11-16)15-32(25(20)33)19-5-2-17(3-6-19)30-26(34)31-38(35,36)24-9-8-23(27)37-24;1-27-12-15-10-14-8-9-28(22(29)19(14)11-16(15)13-27)18-4-2-17(3-5-18)25-23(30)26-34(31,32)21-7-6-20(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;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/h2-16,29H,1H3,(H2,30,31,34);2-15,28H,1H3,(H2,30,31,34);2-11H,12-13H2,1H3,(H2,25,26,30);1-10,24H,11-12H2,(H2,25,26,29);1-11H,(H2,24,25,28)
InChIKeyMCAGDYXXWOKIGC-UHFFFAOYSA-N
XLogP23.58
TPSA564.60 Ų
H-Bond Donors13
H-Bond Acceptors37
Rotatable Bonds24
Heavy Atoms176
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002648.09
LogP ≤ 523.58
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1037

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN1Cc2cc3ccn(-c4ccc(NC(=O)NS(=O)(=O)c5ccc(Cl)s5)cc4)c(=O)c3cc2C1.CNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3)cc(-c3ccccc3)c2c1.CNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3)cc(-c3ccncc3)c2c1.O=C(Nc1ccc(-n2c3c(c4ccccc4c2=O)CNC3)cc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2ccc3cc4ncoc4cc3c2=O)cc1)NS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 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?
The InChIKey is MCAGDYXXWOKIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21ClN4O4S2.C26H20ClN5O4S2.C23H19ClN4O4S2.C22H17ClN4O4S2.C21H13ClN4O5S2/c1-29-19-9-12-21-22(15-19)23(17-5-3-2-4-6-17)16-32(26(21)33)20-10-7-18(8-11-20)30-27(34)31-38(35,36)25-14-13-24(28)37-25;1-28-18-4-7-20-21(14-18)22(16-10-12-29-13-11-16)15-32(25(20)33)19-5-2-17(3-6-19)30-26(34)31-38(35,36)24-9-8-23(27)37-24;1-27-12-15-10-14-8-9-28(22(29)19(14)11-16(15)13-27)18-4-2-17(3-5-18)25-23(30)26-34(31,32)21-7-6-20(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;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/h2-16,29H,1H3,(H2,30,31,34);2-15,28H,1H3,(H2,30,31,34);2-11H,12-13H2,1H3,(H2,25,26,30);1-10,24H,11-12H2,(H2,25,26,29);1-11H,(H2,24,25,28).
What are the key properties of 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?
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 has a molecular weight of 2648.09 g/mol, XLogP of 23.58, 24 rotatable bonds, 13 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159522823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).