1-[3-fluoro-4-[6-(methylamino)-1-oxo-4-phenylisoquinolin-2-yl]phenyl]-3-thiophen-2-ylsulfonylurea;1-[3-fluoro-4-[6-(methylamino)-1-oxo-4-pyridin-4-ylisoquinolin-2-yl]phenyl]-3-thiophen-2-ylsulfonylurea;1-[3-fluoro-4-(2-methyl-5-oxo-1,3-dihydropyrrolo[3,4-g]isoquinolin-6-yl)phenyl]-3-thiophen-2-ylsulfonylurea;bis(1-[3-fluoro-4-(5-oxo-1H-imidazo[4,5-g]isoquinolin-6-yl)phenyl]-3-thiophen-2-ylsulfonylurea);1-[3-fluoro-4-(5-oxo-[1,3]thiazolo[4,5-g]isoquinolin-6-yl)phenyl]-3-thiophen-2-ylsulfonylurea

C139H101F6N27O24S13 — CID 159280979

IUPAC1-[3-fluoro-4-[6-(methylamino)-1-oxo-4-phenylisoquinolin-2-yl]phenyl]-3-thiophen-2-ylsulfonylurea;1-[3-fluoro-4-[6-(methylamino)-1-oxo-4-pyridin-4-ylisoquinolin-2-yl]phenyl]-3-thiophen-2-ylsulfonylurea;1-[3-fluoro-4-(2-methyl-5-oxo-1,3-dihydropyrrolo[3,4-g]isoquinolin-6-yl)phenyl]-3-thiophen-2-ylsulfonylurea;bis(1-[3-fluoro-4-(5-oxo-1H-imidazo[4,5-g]isoquinolin-6-yl)phenyl]-3-thiophen-2-ylsulfonylurea);1-[3-fluoro-4-(5-oxo-[1,3]thiazolo[4,5-g]isoquinolin-6-yl)phenyl]-3-thiophen-2-ylsulfonylurea
SMILESCN1Cc2cc3ccn(-c4ccc(NC(=O)NS(=O)(=O)c5cccs5)cc4F)c(=O)c3cc2C1.CNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4cccs4)cc3F)cc(-c3ccccc3)c2c1.CNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4cccs4)cc3F)cc(-c3ccncc3)c2c1.O=C(Nc1ccc(-n2ccc3cc4[nH]cnc4cc3c2=O)c(F)c1)NS(=O)(=O)c1cccs1.O=C(Nc1ccc(-n2ccc3cc4[nH]cnc4cc3c2=O)c(F)c1)NS(=O)(=O)c1cccs1.O=C(Nc1ccc(-n2ccc3cc4ncsc4cc3c2=O)c(F)c1)NS(=O)(=O)c1cccs1
InChIInChI=1S/C27H21FN4O4S2.C26H20FN5O4S2.C23H19FN4O4S2.2C21H14FN5O4S2.C21H13FN4O4S3/c1-29-18-9-11-20-21(14-18)22(17-6-3-2-4-7-17)16-32(26(20)33)24-12-10-19(15-23(24)28)30-27(34)31-38(35,36)25-8-5-13-37-25;1-28-17-4-6-19-20(13-17)21(16-8-10-29-11-9-16)15-32(25(19)33)23-7-5-18(14-22(23)27)30-26(34)31-38(35,36)24-3-2-12-37-24;1-27-12-15-9-14-6-7-28(22(29)18(14)10-16(15)13-27)20-5-4-17(11-19(20)24)25-23(30)26-34(31,32)21-3-2-8-33-21;2*22-15-9-13(25-21(29)26-33(30,31)19-2-1-7-32-19)3-4-18(15)27-6-5-12-8-16-17(24-11-23-16)10-14(12)20(27)28;22-15-9-13(24-21(28)25-33(29,30)19-2-1-7-31-19)3-4-17(15)26-6-5-12-8-16-18(32-11-23-16)10-14(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);2*1-11H,(H,23,24)(H2,25,26,29);1-11H,(H2,24,25,28)
InChIKeyKYXKJDBELNXRFR-UHFFFAOYSA-N
MW3064.36 g/mol
LogP25.33
Rot. Bonds28

About 1-[3-fluoro-4-[6-(methylamino)-1-oxo-4-phenylisoquinolin-2-yl]phenyl]-3-thiophen-2-ylsulfonylurea;1-[3-fluoro-4-[6-(methylamino)-1-oxo-4-pyridin-4-ylisoquinolin-2-yl]phenyl]-3-thiophen-2-ylsulfonylurea;1-[3-fluoro-4-(2-methyl-5-oxo-1,3-dihydropyrrolo[3,4-g]isoquinolin-6-yl)phenyl]-3-thiophen-2-ylsulfonylurea;bis(1-[3-fluoro-4-(5-oxo-1H-imidazo[4,5-g]isoquinolin-6-yl)phenyl]-3-thiophen-2-ylsulfonylurea);1-[3-fluoro-4-(5-oxo-[1,3]thiazolo[4,5-g]isoquinolin-6-yl)phenyl]-3-thiophen-2-ylsulfonylurea

1-[3-fluoro-4-[6-(methylamino)-1-oxo-4-phenylisoquinolin-2-yl]phenyl]-3-thiophen-2-ylsulfonylurea;1-[3-fluoro-4-[6-(methylamino)-1-oxo-4-pyridin-4-ylisoquinolin-2-yl]phenyl]-3-thiophen-2-ylsulfonylurea;1-[3-fluoro-4-(2-methyl-5-oxo-1,3-dihydropyrrolo[3,4-g]isoquinolin-6-yl)phenyl]-3-thiophen-2-ylsulfonylurea;bis(1-[3-fluoro-4-(5-oxo-1H-imidazo[4,5-g]isoquinolin-6-yl)phenyl]-3-thiophen-2-ylsulfonylurea);1-[3-fluoro-4-(5-oxo-[1,3]thiazolo[4,5-g]isoquinolin-6-yl)phenyl]-3-thiophen-2-ylsulfonylurea (PubChem CID 159280979) has the molecular formula C139H101F6N27O24S13 and a molecular weight of 3064.36 g/mol. Its IUPAC name is 1-[3-fluoro-4-[6-(methylamino)-1-oxo-4-phenylisoquinolin-2-yl]phenyl]-3-thiophen-2-ylsulfonylurea;1-[3-fluoro-4-[6-(methylamino)-1-oxo-4-pyridin-4-ylisoquinolin-2-yl]phenyl]-3-thiophen-2-ylsulfonylurea;1-[3-fluoro-4-(2-methyl-5-oxo-1,3-dihydropyrrolo[3,4-g]isoquinolin-6-yl)phenyl]-3-thiophen-2-ylsulfonylurea;bis(1-[3-fluoro-4-(5-oxo-1H-imidazo[4,5-g]isoquinolin-6-yl)phenyl]-3-thiophen-2-ylsulfonylurea);1-[3-fluoro-4-(5-oxo-[1,3]thiazolo[4,5-g]isoquinolin-6-yl)phenyl]-3-thiophen-2-ylsulfonylurea.

Molecular Properties

Compound Name1-[3-fluoro-4-[6-(methylamino)-1-oxo-4-phenylisoquinolin-2-yl]phenyl]-3-thiophen-2-ylsulfonylurea;1-[3-fluoro-4-[6-(methylamino)-1-oxo-4-pyridin-4-ylisoquinolin-2-yl]phenyl]-3-thiophen-2-ylsulfonylurea;1-[3-fluoro-4-(2-methyl-5-oxo-1,3-dihydropyrrolo[3,4-g]isoquinolin-6-yl)phenyl]-3-thiophen-2-ylsulfonylurea;bis(1-[3-fluoro-4-(5-oxo-1H-imidazo[4,5-g]isoquinolin-6-yl)phenyl]-3-thiophen-2-ylsulfonylurea);1-[3-fluoro-4-(5-oxo-[1,3]thiazolo[4,5-g]isoquinolin-6-yl)phenyl]-3-thiophen-2-ylsulfonylurea
PubChem CID159280979
Molecular FormulaC139H101F6N27O24S13
Molecular Weight3064.36 g/mol
Exact Mass3061.38
IUPAC Name1-[3-fluoro-4-[6-(methylamino)-1-oxo-4-phenylisoquinolin-2-yl]phenyl]-3-thiophen-2-ylsulfonylurea;1-[3-fluoro-4-[6-(methylamino)-1-oxo-4-pyridin-4-ylisoquinolin-2-yl]phenyl]-3-thiophen-2-ylsulfonylurea;1-[3-fluoro-4-(2-methyl-5-oxo-1,3-dihydropyrrolo[3,4-g]isoquinolin-6-yl)phenyl]-3-thiophen-2-ylsulfonylurea;bis(1-[3-fluoro-4-(5-oxo-1H-imidazo[4,5-g]isoquinolin-6-yl)phenyl]-3-thiophen-2-ylsulfonylurea);1-[3-fluoro-4-(5-oxo-[1,3]thiazolo[4,5-g]isoquinolin-6-yl)phenyl]-3-thiophen-2-ylsulfonylurea
SMILESCN1Cc2cc3ccn(-c4ccc(NC(=O)NS(=O)(=O)c5cccs5)cc4F)c(=O)c3cc2C1.CNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4cccs4)cc3F)cc(-c3ccccc3)c2c1.CNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4cccs4)cc3F)cc(-c3ccncc3)c2c1.O=C(Nc1ccc(-n2ccc3cc4[nH]cnc4cc3c2=O)c(F)c1)NS(=O)(=O)c1cccs1.O=C(Nc1ccc(-n2ccc3cc4[nH]cnc4cc3c2=O)c(F)c1)NS(=O)(=O)c1cccs1.O=C(Nc1ccc(-n2ccc3cc4ncsc4cc3c2=O)c(F)c1)NS(=O)(=O)c1cccs1
InChIInChI=1S/C27H21FN4O4S2.C26H20FN5O4S2.C23H19FN4O4S2.2C21H14FN5O4S2.C21H13FN4O4S3/c1-29-18-9-11-20-21(14-18)22(17-6-3-2-4-7-17)16-32(26(20)33)24-12-10-19(15-23(24)28)30-27(34)31-38(35,36)25-8-5-13-37-25;1-28-17-4-6-19-20(13-17)21(16-8-10-29-11-9-16)15-32(25(19)33)23-7-5-18(14-22(23)27)30-26(34)31-38(35,36)24-3-2-12-37-24;1-27-12-15-9-14-6-7-28(22(29)18(14)10-16(15)13-27)20-5-4-17(11-19(20)24)25-23(30)26-34(31,32)21-3-2-8-33-21;2*22-15-9-13(25-21(29)26-33(30,31)19-2-1-7-32-19)3-4-18(15)27-6-5-12-8-16-17(24-11-23-16)10-14(12)20(27)28;22-15-9-13(24-21(28)25-33(29,30)19-2-1-7-31-19)3-4-17(15)26-6-5-12-8-16-18(32-11-23-16)10-14(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);2*1-11H,(H,23,24)(H2,25,26,29);1-11H,(H2,24,25,28)
InChIKeyKYXKJDBELNXRFR-UHFFFAOYSA-N
XLogP25.33
TPSA694.06 Ų
H-Bond Donors16
H-Bond Acceptors44
Rotatable Bonds28
Heavy Atoms209
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003064.36
LogP ≤ 525.33
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1044

Analyze 1-[3-fluoro-4-[6-(methylamino)-1-oxo-4-phenylisoquinolin-2-yl]phenyl]-3-thiophen-2-ylsulfonylurea;1-[3-fluoro-4-[6-(methylamino)-1-oxo-4-pyridin-4-ylisoquinolin-2-yl]phenyl]-3-thiophen-2-ylsulfonylurea;1-[3-fluoro-4-(2-methyl-5-oxo-1,3-dihydropyrrolo[3,4-g]isoquinolin-6-yl)phenyl]-3-thiophen-2-ylsulfonylurea;bis(1-[3-fluoro-4-(5-oxo-1H-imidazo[4,5-g]isoquinolin-6-yl)phenyl]-3-thiophen-2-ylsulfonylurea);1-[3-fluoro-4-(5-oxo-[1,3]thiazolo[4,5-g]isoquinolin-6-yl)phenyl]-3-thiophen-2-ylsulfonylurea with MolForge

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-[2-fluoro-4-(thiophen-2-ylsulfonylcarbamoylamino)phenyl]-6-(methylamino)-1-oxoisoquinoline-4-carboxamide;1-[4-[4-[(dimethylamino)methyl]-6-(methylamino)-1-oxoisoquinolin-2-yl]-3-fluorophenyl]-3-thiophen-2-ylsulfonylurea;1-[3-fluoro-4-[6-(methylamino)-4-methylsulfonyl-1-oxoisoquinolin-2-yl]phenyl]-3-thiophen-2-ylsulfonylurea;1-[3-fluoro-4-(5-oxo-1H-imidazo[4,5-g]isoquinolin-6-yl)phenyl]-3-thiophen-2-ylsulfonylurea;1-[3-fluoro-4-(5-oxo-[1,3]thiazolo[4,5-g]isoquinolin-6-yl)phenyl]-3-thiophen-2-ylsulfonylurea;2-[2-fluoro-4-(thiophen-2-ylsulfonylcarbamoylamino)phenyl]-6-(methylamino)-N-(2-morpholin-4-ylethyl)-1-oxoisoquinoline-4-carboxamide;2-[2-fluoro-4-(thiophen-2-ylsulfonylcarbamoylamino)phenyl]-6-(methylamino)-1-oxo-N-(2-pyrrolidin-1-ylethyl)isoquinoline-4-carboxamide;methyl 2-[2-fluoro-4-(thiophen-2-ylsulfonylcarbamoylamino)phenyl]-6-(methylamino)-1-oxoisoquinoline-4-carboxylate
CID 160564109
1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[6-(methylamino)-1-oxo-4-phenylisoquinolin-2-yl]phenyl]urea
CID 20799615
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-[3-fluoro-4-[1-hydroxy-6-(methylamino)-3-oxoisoquinolin-2-yl]phenyl]-3-thiophen-2-ylsulfonylurea
CID 91095648
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
1-[3-fluoro-4-(5-oxo-[1,3]thiazolo[4,5-g]isoquinolin-6-yl)phenyl]-3-(4H-thiopyran-2-ylsulfinyl)urea
CID 142210684
1-(5-methylthiophen-2-yl)sulfonyl-3-[6-(5-oxo-1H-imidazo[4,5-g]isoquinolin-6-yl)-3-pyridinyl]urea
CID 70956608
1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-(methylamino)-1-oxo-4-phenylisoquinolin-2-yl]phenyl]urea
CID 10231468
N-[2-(dimethylamino)ethyl]-2-[2-fluoro-4-(thiophen-2-ylsulfonylcarbamoylamino)phenyl]-6-methyl-1-oxoisoquinoline-4-carboxamide
CID 163495341
1-[3-fluoro-4-(5-hydroxy-7-oxo-2,3-dihydro-1H-pyrrolo[2,3-g]isoquinolin-6-yl)phenyl]-3-thiophen-2-ylsulfonylurea
CID 91483834
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
CID 10186251
1-[4-[7-bromo-6-(methylamino)-1,3-dioxo-4H-isoquinolin-2-yl]-3-fluorophenyl]-3-thiophen-2-ylsulfonylurea
CID 20799297

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-[6-(methylamino)-1-oxo-4-phenylisoquinolin-2-yl]phenyl]-3-thiophen-2-ylsulfonylurea;1-[3-fluoro-4-[6-(methylamino)-1-oxo-4-pyridin-4-ylisoquinolin-2-yl]phenyl]-3-thiophen-2-ylsulfonylurea;1-[3-fluoro-4-(2-methyl-5-oxo-1,3-dihydropyrrolo[3,4-g]isoquinolin-6-yl)phenyl]-3-thiophen-2-ylsulfonylurea;bis(1-[3-fluoro-4-(5-oxo-1H-imidazo[4,5-g]isoquinolin-6-yl)phenyl]-3-thiophen-2-ylsulfonylurea);1-[3-fluoro-4-(5-oxo-[1,3]thiazolo[4,5-g]isoquinolin-6-yl)phenyl]-3-thiophen-2-ylsulfonylurea?
The IUPAC name of 1-[3-fluoro-4-[6-(methylamino)-1-oxo-4-phenylisoquinolin-2-yl]phenyl]-3-thiophen-2-ylsulfonylurea;1-[3-fluoro-4-[6-(methylamino)-1-oxo-4-pyridin-4-ylisoquinolin-2-yl]phenyl]-3-thiophen-2-ylsulfonylurea;1-[3-fluoro-4-(2-methyl-5-oxo-1,3-dihydropyrrolo[3,4-g]isoquinolin-6-yl)phenyl]-3-thiophen-2-ylsulfonylurea;bis(1-[3-fluoro-4-(5-oxo-1H-imidazo[4,5-g]isoquinolin-6-yl)phenyl]-3-thiophen-2-ylsulfonylurea);1-[3-fluoro-4-(5-oxo-[1,3]thiazolo[4,5-g]isoquinolin-6-yl)phenyl]-3-thiophen-2-ylsulfonylurea (CID 159280979) is 1-[3-fluoro-4-[6-(methylamino)-1-oxo-4-phenylisoquinolin-2-yl]phenyl]-3-thiophen-2-ylsulfonylurea;1-[3-fluoro-4-[6-(methylamino)-1-oxo-4-pyridin-4-ylisoquinolin-2-yl]phenyl]-3-thiophen-2-ylsulfonylurea;1-[3-fluoro-4-(2-methyl-5-oxo-1,3-dihydropyrrolo[3,4-g]isoquinolin-6-yl)phenyl]-3-thiophen-2-ylsulfonylurea;bis(1-[3-fluoro-4-(5-oxo-1H-imidazo[4,5-g]isoquinolin-6-yl)phenyl]-3-thiophen-2-ylsulfonylurea);1-[3-fluoro-4-(5-oxo-[1,3]thiazolo[4,5-g]isoquinolin-6-yl)phenyl]-3-thiophen-2-ylsulfonylurea.
What is the SMILES notation for 1-[3-fluoro-4-[6-(methylamino)-1-oxo-4-phenylisoquinolin-2-yl]phenyl]-3-thiophen-2-ylsulfonylurea;1-[3-fluoro-4-[6-(methylamino)-1-oxo-4-pyridin-4-ylisoquinolin-2-yl]phenyl]-3-thiophen-2-ylsulfonylurea;1-[3-fluoro-4-(2-methyl-5-oxo-1,3-dihydropyrrolo[3,4-g]isoquinolin-6-yl)phenyl]-3-thiophen-2-ylsulfonylurea;bis(1-[3-fluoro-4-(5-oxo-1H-imidazo[4,5-g]isoquinolin-6-yl)phenyl]-3-thiophen-2-ylsulfonylurea);1-[3-fluoro-4-(5-oxo-[1,3]thiazolo[4,5-g]isoquinolin-6-yl)phenyl]-3-thiophen-2-ylsulfonylurea?
The canonical SMILES for 1-[3-fluoro-4-[6-(methylamino)-1-oxo-4-phenylisoquinolin-2-yl]phenyl]-3-thiophen-2-ylsulfonylurea;1-[3-fluoro-4-[6-(methylamino)-1-oxo-4-pyridin-4-ylisoquinolin-2-yl]phenyl]-3-thiophen-2-ylsulfonylurea;1-[3-fluoro-4-(2-methyl-5-oxo-1,3-dihydropyrrolo[3,4-g]isoquinolin-6-yl)phenyl]-3-thiophen-2-ylsulfonylurea;bis(1-[3-fluoro-4-(5-oxo-1H-imidazo[4,5-g]isoquinolin-6-yl)phenyl]-3-thiophen-2-ylsulfonylurea);1-[3-fluoro-4-(5-oxo-[1,3]thiazolo[4,5-g]isoquinolin-6-yl)phenyl]-3-thiophen-2-ylsulfonylurea is CN1Cc2cc3ccn(-c4ccc(NC(=O)NS(=O)(=O)c5cccs5)cc4F)c(=O)c3cc2C1.CNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4cccs4)cc3F)cc(-c3ccccc3)c2c1.CNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4cccs4)cc3F)cc(-c3ccncc3)c2c1.O=C(Nc1ccc(-n2ccc3cc4[nH]cnc4cc3c2=O)c(F)c1)NS(=O)(=O)c1cccs1.O=C(Nc1ccc(-n2ccc3cc4[nH]cnc4cc3c2=O)c(F)c1)NS(=O)(=O)c1cccs1.O=C(Nc1ccc(-n2ccc3cc4ncsc4cc3c2=O)c(F)c1)NS(=O)(=O)c1cccs1.
What is the InChIKey of 1-[3-fluoro-4-[6-(methylamino)-1-oxo-4-phenylisoquinolin-2-yl]phenyl]-3-thiophen-2-ylsulfonylurea;1-[3-fluoro-4-[6-(methylamino)-1-oxo-4-pyridin-4-ylisoquinolin-2-yl]phenyl]-3-thiophen-2-ylsulfonylurea;1-[3-fluoro-4-(2-methyl-5-oxo-1,3-dihydropyrrolo[3,4-g]isoquinolin-6-yl)phenyl]-3-thiophen-2-ylsulfonylurea;bis(1-[3-fluoro-4-(5-oxo-1H-imidazo[4,5-g]isoquinolin-6-yl)phenyl]-3-thiophen-2-ylsulfonylurea);1-[3-fluoro-4-(5-oxo-[1,3]thiazolo[4,5-g]isoquinolin-6-yl)phenyl]-3-thiophen-2-ylsulfonylurea?
The InChIKey is KYXKJDBELNXRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21FN4O4S2.C26H20FN5O4S2.C23H19FN4O4S2.2C21H14FN5O4S2.C21H13FN4O4S3/c1-29-18-9-11-20-21(14-18)22(17-6-3-2-4-7-17)16-32(26(20)33)24-12-10-19(15-23(24)28)30-27(34)31-38(35,36)25-8-5-13-37-25;1-28-17-4-6-19-20(13-17)21(16-8-10-29-11-9-16)15-32(25(19)33)23-7-5-18(14-22(23)27)30-26(34)31-38(35,36)24-3-2-12-37-24;1-27-12-15-9-14-6-7-28(22(29)18(14)10-16(15)13-27)20-5-4-17(11-19(20)24)25-23(30)26-34(31,32)21-3-2-8-33-21;2*22-15-9-13(25-21(29)26-33(30,31)19-2-1-7-32-19)3-4-18(15)27-6-5-12-8-16-17(24-11-23-16)10-14(12)20(27)28;22-15-9-13(24-21(28)25-33(29,30)19-2-1-7-31-19)3-4-17(15)26-6-5-12-8-16-18(32-11-23-16)10-14(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);2*1-11H,(H,23,24)(H2,25,26,29);1-11H,(H2,24,25,28).
What are the key properties of 1-[3-fluoro-4-[6-(methylamino)-1-oxo-4-phenylisoquinolin-2-yl]phenyl]-3-thiophen-2-ylsulfonylurea;1-[3-fluoro-4-[6-(methylamino)-1-oxo-4-pyridin-4-ylisoquinolin-2-yl]phenyl]-3-thiophen-2-ylsulfonylurea;1-[3-fluoro-4-(2-methyl-5-oxo-1,3-dihydropyrrolo[3,4-g]isoquinolin-6-yl)phenyl]-3-thiophen-2-ylsulfonylurea;bis(1-[3-fluoro-4-(5-oxo-1H-imidazo[4,5-g]isoquinolin-6-yl)phenyl]-3-thiophen-2-ylsulfonylurea);1-[3-fluoro-4-(5-oxo-[1,3]thiazolo[4,5-g]isoquinolin-6-yl)phenyl]-3-thiophen-2-ylsulfonylurea?
1-[3-fluoro-4-[6-(methylamino)-1-oxo-4-phenylisoquinolin-2-yl]phenyl]-3-thiophen-2-ylsulfonylurea;1-[3-fluoro-4-[6-(methylamino)-1-oxo-4-pyridin-4-ylisoquinolin-2-yl]phenyl]-3-thiophen-2-ylsulfonylurea;1-[3-fluoro-4-(2-methyl-5-oxo-1,3-dihydropyrrolo[3,4-g]isoquinolin-6-yl)phenyl]-3-thiophen-2-ylsulfonylurea;bis(1-[3-fluoro-4-(5-oxo-1H-imidazo[4,5-g]isoquinolin-6-yl)phenyl]-3-thiophen-2-ylsulfonylurea);1-[3-fluoro-4-(5-oxo-[1,3]thiazolo[4,5-g]isoquinolin-6-yl)phenyl]-3-thiophen-2-ylsulfonylurea has a molecular weight of 3064.36 g/mol, XLogP of 25.33, 28 rotatable bonds, 16 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-[6-(methylamino)-1-oxo-4-phenylisoquinolin-2-yl]phenyl]-3-thiophen-2-ylsulfonylurea;1-[3-fluoro-4-[6-(methylamino)-1-oxo-4-pyridin-4-ylisoquinolin-2-yl]phenyl]-3-thiophen-2-ylsulfonylurea;1-[3-fluoro-4-(2-methyl-5-oxo-1,3-dihydropyrrolo[3,4-g]isoquinolin-6-yl)phenyl]-3-thiophen-2-ylsulfonylurea;bis(1-[3-fluoro-4-(5-oxo-1H-imidazo[4,5-g]isoquinolin-6-yl)phenyl]-3-thiophen-2-ylsulfonylurea);1-[3-fluoro-4-(5-oxo-[1,3]thiazolo[4,5-g]isoquinolin-6-yl)phenyl]-3-thiophen-2-ylsulfonylurea is sourced from PubChem (CID 159280979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).