2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-N-[2-(dimethylamino)ethyl]-6-methyl-1-oxoisoquinoline-4-carboxamide;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-4-[(dimethylamino)methyl]-6-methylisoquinolin-1-one;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methyl-4-methylsulfonylisoquinolin-1-one;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methyl-N-(2-morpholin-4-ylethyl)-1-oxoisoquinoline-4-carboxamide

C108H99Cl8N9O21S9 — CID 161489935

IUPAC2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-N-[2-(dimethylamino)ethyl]-6-methyl-1-oxoisoquinoline-4-carboxamide;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-4-[(dimethylamino)methyl]-6-methylisoquinolin-1-one;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methyl-4-methylsulfonylisoquinolin-1-one;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methyl-N-(2-morpholin-4-ylethyl)-1-oxoisoquinoline-4-carboxamide
SMILESCc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4cc(Cl)c(Cl)s4)cc3)cc(C(=O)NCCN(C)C)c2c1.Cc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4cc(Cl)c(Cl)s4)cc3)cc(C(=O)NCCN3CCOCC3)c2c1.Cc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4cc(Cl)c(Cl)s4)cc3)cc(CN(C)C)c2c1.Cc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4cc(Cl)c(Cl)s4)cc3)cc(S(C)(=O)=O)c2c1
InChIInChI=1S/C30H29Cl2N3O6S2.C28H27Cl2N3O5S2.C26H24Cl2N2O4S2.C24H19Cl2NO6S3/c1-19-2-7-23-24(14-19)25(29(37)33-8-9-34-10-12-41-13-11-34)17-35(30(23)38)21-5-3-20(4-6-21)15-22(36)18-43(39,40)27-16-26(31)28(32)42-27;1-17-4-9-21-22(12-17)23(27(35)31-10-11-32(2)3)15-33(28(21)36)19-7-5-18(6-8-19)13-20(34)16-40(37,38)25-14-24(29)26(30)39-25;1-16-4-9-21-22(10-16)18(13-29(2)3)14-30(26(21)32)19-7-5-17(6-8-19)11-20(31)15-36(33,34)24-12-23(27)25(28)35-24;1-14-3-8-18-19(9-14)21(35(2,30)31)12-27(24(18)29)16-6-4-15(5-7-16)10-17(28)13-36(32,33)22-11-20(25)23(26)34-22/h2-7,14,16-17H,8-13,15,18H2,1H3,(H,33,37);4-9,12,14-15H,10-11,13,16H2,1-3H3,(H,31,35);4-10,12,14H,11,13,15H2,1-3H3;3-9,11-12H,10,13H2,1-2H3
InChIKeyWFLWKBBXCZYWFY-UHFFFAOYSA-N
MW2431.25 g/mol
LogP18.83
Rot. Bonds35

About 2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-N-[2-(dimethylamino)ethyl]-6-methyl-1-oxoisoquinoline-4-carboxamide;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-4-[(dimethylamino)methyl]-6-methylisoquinolin-1-one;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methyl-4-methylsulfonylisoquinolin-1-one;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methyl-N-(2-morpholin-4-ylethyl)-1-oxoisoquinoline-4-carboxamide

2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-N-[2-(dimethylamino)ethyl]-6-methyl-1-oxoisoquinoline-4-carboxamide;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-4-[(dimethylamino)methyl]-6-methylisoquinolin-1-one;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methyl-4-methylsulfonylisoquinolin-1-one;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methyl-N-(2-morpholin-4-ylethyl)-1-oxoisoquinoline-4-carboxamide (PubChem CID 161489935) has the molecular formula C108H99Cl8N9O21S9 and a molecular weight of 2431.25 g/mol. Its IUPAC name is 2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-N-[2-(dimethylamino)ethyl]-6-methyl-1-oxoisoquinoline-4-carboxamide;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-4-[(dimethylamino)methyl]-6-methylisoquinolin-1-one;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methyl-4-methylsulfonylisoquinolin-1-one;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methyl-N-(2-morpholin-4-ylethyl)-1-oxoisoquinoline-4-carboxamide.

Molecular Properties

Compound Name2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-N-[2-(dimethylamino)ethyl]-6-methyl-1-oxoisoquinoline-4-carboxamide;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-4-[(dimethylamino)methyl]-6-methylisoquinolin-1-one;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methyl-4-methylsulfonylisoquinolin-1-one;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methyl-N-(2-morpholin-4-ylethyl)-1-oxoisoquinoline-4-carboxamide
PubChem CID161489935
Molecular FormulaC108H99Cl8N9O21S9
Molecular Weight2431.25 g/mol
Exact Mass2425.20
IUPAC Name2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-N-[2-(dimethylamino)ethyl]-6-methyl-1-oxoisoquinoline-4-carboxamide;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-4-[(dimethylamino)methyl]-6-methylisoquinolin-1-one;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methyl-4-methylsulfonylisoquinolin-1-one;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methyl-N-(2-morpholin-4-ylethyl)-1-oxoisoquinoline-4-carboxamide
SMILESCc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4cc(Cl)c(Cl)s4)cc3)cc(C(=O)NCCN(C)C)c2c1.Cc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4cc(Cl)c(Cl)s4)cc3)cc(C(=O)NCCN3CCOCC3)c2c1.Cc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4cc(Cl)c(Cl)s4)cc3)cc(CN(C)C)c2c1.Cc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4cc(Cl)c(Cl)s4)cc3)cc(S(C)(=O)=O)c2c1
InChIInChI=1S/C30H29Cl2N3O6S2.C28H27Cl2N3O5S2.C26H24Cl2N2O4S2.C24H19Cl2NO6S3/c1-19-2-7-23-24(14-19)25(29(37)33-8-9-34-10-12-41-13-11-34)17-35(30(23)38)21-5-3-20(4-6-21)15-22(36)18-43(39,40)27-16-26(31)28(32)42-27;1-17-4-9-21-22(12-17)23(27(35)31-10-11-32(2)3)15-33(28(21)36)19-7-5-18(6-8-19)13-20(34)16-40(37,38)25-14-24(29)26(30)39-25;1-16-4-9-21-22(10-16)18(13-29(2)3)14-30(26(21)32)19-7-5-17(6-8-19)11-20(31)15-36(33,34)24-12-23(27)25(28)35-24;1-14-3-8-18-19(9-14)21(35(2,30)31)12-27(24(18)29)16-6-4-15(5-7-16)10-17(28)13-36(32,33)22-11-20(25)23(26)34-22/h2-7,14,16-17H,8-13,15,18H2,1H3,(H,33,37);4-9,12,14-15H,10-11,13,16H2,1-3H3,(H,31,35);4-10,12,14H,11,13,15H2,1-3H3;3-9,11-12H,10,13H2,1-2H3
InChIKeyWFLWKBBXCZYWFY-UHFFFAOYSA-N
XLogP18.83
TPSA404.13 Ų
H-Bond Donors2
H-Bond Acceptors32
Rotatable Bonds35
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002431.25
LogP ≤ 518.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1032

Analyze 2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-N-[2-(dimethylamino)ethyl]-6-methyl-1-oxoisoquinoline-4-carboxamide;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-4-[(dimethylamino)methyl]-6-methylisoquinolin-1-one;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methyl-4-methylsulfonylisoquinolin-1-one;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methyl-N-(2-morpholin-4-ylethyl)-1-oxoisoquinoline-4-carboxamide with MolForge

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Related Compounds

2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methyl-N-(2-morpholin-4-ylethyl)-1-oxoisoquinoline-4-carboxamide
CID 159078403
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
2,6-dimethyl-1-oxo-N-(2-pyrrolidin-1-ylethyl)isoquinoline-4-carboxamide
CID 67965449
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
2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-(2-pyrrolidin-1-ylethylamino)-4H-isoquinoline-1,3-dione
CID 157131563
7-bromo-2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-(methylamino)-4H-isoquinoline-1,3-dione;6-(cyclopropylmethylamino)-2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-4H-isoquinoline-1,3-dione;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-[2-(dimethylamino)ethylamino]-4H-isoquinoline-1,3-dione;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-(2-piperidin-1-ylethylamino)-4H-isoquinoline-1,3-dione;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-(propylamino)-4H-isoquinoline-1,3-dione
CID 158954015
6-methyl-2-(5-methylthiophen-2-yl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 3485434
2-(4-methylsulfonylphenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 3546363
3-chloro-6-methyl-N-(3-morpholin-4-ylpropyl)-1-benzothiophene-2-carboxamide
CID 3579902
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
2-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 799090
6-methyl-N-(2-morpholin-4-ylethyl)-2-oxochromene-3-carboxamide
CID 100794566

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-N-[2-(dimethylamino)ethyl]-6-methyl-1-oxoisoquinoline-4-carboxamide;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-4-[(dimethylamino)methyl]-6-methylisoquinolin-1-one;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methyl-4-methylsulfonylisoquinolin-1-one;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methyl-N-(2-morpholin-4-ylethyl)-1-oxoisoquinoline-4-carboxamide?
The IUPAC name of 2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-N-[2-(dimethylamino)ethyl]-6-methyl-1-oxoisoquinoline-4-carboxamide;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-4-[(dimethylamino)methyl]-6-methylisoquinolin-1-one;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methyl-4-methylsulfonylisoquinolin-1-one;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methyl-N-(2-morpholin-4-ylethyl)-1-oxoisoquinoline-4-carboxamide (CID 161489935) is 2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-N-[2-(dimethylamino)ethyl]-6-methyl-1-oxoisoquinoline-4-carboxamide;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-4-[(dimethylamino)methyl]-6-methylisoquinolin-1-one;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methyl-4-methylsulfonylisoquinolin-1-one;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methyl-N-(2-morpholin-4-ylethyl)-1-oxoisoquinoline-4-carboxamide.
What is the SMILES notation for 2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-N-[2-(dimethylamino)ethyl]-6-methyl-1-oxoisoquinoline-4-carboxamide;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-4-[(dimethylamino)methyl]-6-methylisoquinolin-1-one;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methyl-4-methylsulfonylisoquinolin-1-one;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methyl-N-(2-morpholin-4-ylethyl)-1-oxoisoquinoline-4-carboxamide?
The canonical SMILES for 2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-N-[2-(dimethylamino)ethyl]-6-methyl-1-oxoisoquinoline-4-carboxamide;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-4-[(dimethylamino)methyl]-6-methylisoquinolin-1-one;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methyl-4-methylsulfonylisoquinolin-1-one;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methyl-N-(2-morpholin-4-ylethyl)-1-oxoisoquinoline-4-carboxamide is Cc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4cc(Cl)c(Cl)s4)cc3)cc(C(=O)NCCN(C)C)c2c1.Cc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4cc(Cl)c(Cl)s4)cc3)cc(C(=O)NCCN3CCOCC3)c2c1.Cc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4cc(Cl)c(Cl)s4)cc3)cc(CN(C)C)c2c1.Cc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4cc(Cl)c(Cl)s4)cc3)cc(S(C)(=O)=O)c2c1.
What is the InChIKey of 2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-N-[2-(dimethylamino)ethyl]-6-methyl-1-oxoisoquinoline-4-carboxamide;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-4-[(dimethylamino)methyl]-6-methylisoquinolin-1-one;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methyl-4-methylsulfonylisoquinolin-1-one;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methyl-N-(2-morpholin-4-ylethyl)-1-oxoisoquinoline-4-carboxamide?
The InChIKey is WFLWKBBXCZYWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29Cl2N3O6S2.C28H27Cl2N3O5S2.C26H24Cl2N2O4S2.C24H19Cl2NO6S3/c1-19-2-7-23-24(14-19)25(29(37)33-8-9-34-10-12-41-13-11-34)17-35(30(23)38)21-5-3-20(4-6-21)15-22(36)18-43(39,40)27-16-26(31)28(32)42-27;1-17-4-9-21-22(12-17)23(27(35)31-10-11-32(2)3)15-33(28(21)36)19-7-5-18(6-8-19)13-20(34)16-40(37,38)25-14-24(29)26(30)39-25;1-16-4-9-21-22(10-16)18(13-29(2)3)14-30(26(21)32)19-7-5-17(6-8-19)11-20(31)15-36(33,34)24-12-23(27)25(28)35-24;1-14-3-8-18-19(9-14)21(35(2,30)31)12-27(24(18)29)16-6-4-15(5-7-16)10-17(28)13-36(32,33)22-11-20(25)23(26)34-22/h2-7,14,16-17H,8-13,15,18H2,1H3,(H,33,37);4-9,12,14-15H,10-11,13,16H2,1-3H3,(H,31,35);4-10,12,14H,11,13,15H2,1-3H3;3-9,11-12H,10,13H2,1-2H3.
What are the key properties of 2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-N-[2-(dimethylamino)ethyl]-6-methyl-1-oxoisoquinoline-4-carboxamide;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-4-[(dimethylamino)methyl]-6-methylisoquinolin-1-one;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methyl-4-methylsulfonylisoquinolin-1-one;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methyl-N-(2-morpholin-4-ylethyl)-1-oxoisoquinoline-4-carboxamide?
2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-N-[2-(dimethylamino)ethyl]-6-methyl-1-oxoisoquinoline-4-carboxamide;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-4-[(dimethylamino)methyl]-6-methylisoquinolin-1-one;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methyl-4-methylsulfonylisoquinolin-1-one;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methyl-N-(2-morpholin-4-ylethyl)-1-oxoisoquinoline-4-carboxamide has a molecular weight of 2431.25 g/mol, XLogP of 18.83, 35 rotatable bonds, 2 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-N-[2-(dimethylamino)ethyl]-6-methyl-1-oxoisoquinoline-4-carboxamide;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-4-[(dimethylamino)methyl]-6-methylisoquinolin-1-one;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methyl-4-methylsulfonylisoquinolin-1-one;2-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-6-methyl-N-(2-morpholin-4-ylethyl)-1-oxoisoquinoline-4-carboxamide is sourced from PubChem (CID 161489935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).