3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[[[2-(dimethylamino)phenyl]methylamino]methyl]thiophen-2-yl]propan-1-one;3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[[(2-methoxyphenyl)methylamino]methyl]thiophen-2-yl]propan-1-one;3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[[(3-methoxyphenyl)methylamino]methyl]thiophen-2-yl]propan-1-one;3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[[(4-methoxyphenyl)methylamino]methyl]thiophen-2-yl]propan-1-one

C101H99Cl4N13O7S4 — CID 167542507

IUPAC3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[[[2-(dimethylamino)phenyl]methylamino]methyl]thiophen-2-yl]propan-1-one;3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[[(2-methoxyphenyl)methylamino]methyl]thiophen-2-yl]propan-1-one;3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[[(3-methoxyphenyl)methylamino]methyl]thiophen-2-yl]propan-1-one;3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[[(4-methoxyphenyl)methylamino]methyl]thiophen-2-yl]propan-1-one
SMILESCN(C)c1ccccc1CNCc1sc(C(=O)CCc2ccc3c(N)nccc3c2)cc1Cl.COc1ccc(CNCc2sc(C(=O)CCc3ccc4c(N)nccc4c3)cc2Cl)cc1.COc1cccc(CNCc2sc(C(=O)CCc3ccc4c(N)nccc4c3)cc2Cl)c1.COc1ccccc1CNCc1sc(C(=O)CCc2ccc3c(N)nccc3c2)cc1Cl
InChIInChI=1S/C26H27ClN4OS.3C25H24ClN3O2S/c1-31(2)22-6-4-3-5-19(22)15-29-16-25-21(27)14-24(33-25)23(32)10-8-17-7-9-20-18(13-17)11-12-30-26(20)28;1-31-19-6-2-17(3-7-19)14-28-15-24-21(26)13-23(32-24)22(30)9-5-16-4-8-20-18(12-16)10-11-29-25(20)27;1-31-19-4-2-3-17(12-19)14-28-15-24-21(26)13-23(32-24)22(30)8-6-16-5-7-20-18(11-16)9-10-29-25(20)27;1-31-22-5-3-2-4-18(22)14-28-15-24-20(26)13-23(32-24)21(30)9-7-16-6-8-19-17(12-16)10-11-29-25(19)27/h3-7,9,11-14,29H,8,10,15-16H2,1-2H3,(H2,28,30);2-4,6-8,10-13,28H,5,9,14-15H2,1H3,(H2,27,29);2-5,7,9-13,28H,6,8,14-15H2,1H3,(H2,27,29);2-6,8,10-13,28H,7,9,14-15H2,1H3,(H2,27,29)
InChIKeyBJKHTXARCKDKIP-UHFFFAOYSA-N
MW1877.07 g/mol
LogP22.64
Rot. Bonds36

About 3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[[[2-(dimethylamino)phenyl]methylamino]methyl]thiophen-2-yl]propan-1-one;3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[[(2-methoxyphenyl)methylamino]methyl]thiophen-2-yl]propan-1-one;3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[[(3-methoxyphenyl)methylamino]methyl]thiophen-2-yl]propan-1-one;3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[[(4-methoxyphenyl)methylamino]methyl]thiophen-2-yl]propan-1-one

3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[[[2-(dimethylamino)phenyl]methylamino]methyl]thiophen-2-yl]propan-1-one;3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[[(2-methoxyphenyl)methylamino]methyl]thiophen-2-yl]propan-1-one;3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[[(3-methoxyphenyl)methylamino]methyl]thiophen-2-yl]propan-1-one;3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[[(4-methoxyphenyl)methylamino]methyl]thiophen-2-yl]propan-1-one (PubChem CID 167542507) has the molecular formula C101H99Cl4N13O7S4 and a molecular weight of 1877.07 g/mol. Its IUPAC name is 3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[[[2-(dimethylamino)phenyl]methylamino]methyl]thiophen-2-yl]propan-1-one;3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[[(2-methoxyphenyl)methylamino]methyl]thiophen-2-yl]propan-1-one;3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[[(3-methoxyphenyl)methylamino]methyl]thiophen-2-yl]propan-1-one;3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[[(4-methoxyphenyl)methylamino]methyl]thiophen-2-yl]propan-1-one.

Molecular Properties

Compound Name3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[[[2-(dimethylamino)phenyl]methylamino]methyl]thiophen-2-yl]propan-1-one;3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[[(2-methoxyphenyl)methylamino]methyl]thiophen-2-yl]propan-1-one;3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[[(3-methoxyphenyl)methylamino]methyl]thiophen-2-yl]propan-1-one;3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[[(4-methoxyphenyl)methylamino]methyl]thiophen-2-yl]propan-1-one
PubChem CID167542507
Molecular FormulaC101H99Cl4N13O7S4
Molecular Weight1877.07 g/mol
Exact Mass1873.54
IUPAC Name3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[[[2-(dimethylamino)phenyl]methylamino]methyl]thiophen-2-yl]propan-1-one;3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[[(2-methoxyphenyl)methylamino]methyl]thiophen-2-yl]propan-1-one;3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[[(3-methoxyphenyl)methylamino]methyl]thiophen-2-yl]propan-1-one;3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[[(4-methoxyphenyl)methylamino]methyl]thiophen-2-yl]propan-1-one
SMILESCN(C)c1ccccc1CNCc1sc(C(=O)CCc2ccc3c(N)nccc3c2)cc1Cl.COc1ccc(CNCc2sc(C(=O)CCc3ccc4c(N)nccc4c3)cc2Cl)cc1.COc1cccc(CNCc2sc(C(=O)CCc3ccc4c(N)nccc4c3)cc2Cl)c1.COc1ccccc1CNCc1sc(C(=O)CCc2ccc3c(N)nccc3c2)cc1Cl
InChIInChI=1S/C26H27ClN4OS.3C25H24ClN3O2S/c1-31(2)22-6-4-3-5-19(22)15-29-16-25-21(27)14-24(33-25)23(32)10-8-17-7-9-20-18(13-17)11-12-30-26(20)28;1-31-19-6-2-17(3-7-19)14-28-15-24-21(26)13-23(32-24)22(30)9-5-16-4-8-20-18(12-16)10-11-29-25(20)27;1-31-19-4-2-3-17(12-19)14-28-15-24-21(26)13-23(32-24)22(30)8-6-16-5-7-20-18(11-16)9-10-29-25(20)27;1-31-22-5-3-2-4-18(22)14-28-15-24-20(26)13-23(32-24)21(30)9-7-16-6-8-19-17(12-16)10-11-29-25(19)27/h3-7,9,11-14,29H,8,10,15-16H2,1-2H3,(H2,28,30);2-4,6-8,10-13,28H,5,9,14-15H2,1H3,(H2,27,29);2-5,7,9-13,28H,6,8,14-15H2,1H3,(H2,27,29);2-6,8,10-13,28H,7,9,14-15H2,1H3,(H2,27,29)
InChIKeyBJKHTXARCKDKIP-UHFFFAOYSA-N
XLogP22.64
TPSA302.97 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds36
Heavy Atoms129
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001877.07
LogP ≤ 522.64
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Analyze 3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[[[2-(dimethylamino)phenyl]methylamino]methyl]thiophen-2-yl]propan-1-one;3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[[(2-methoxyphenyl)methylamino]methyl]thiophen-2-yl]propan-1-one;3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[[(3-methoxyphenyl)methylamino]methyl]thiophen-2-yl]propan-1-one;3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[[(4-methoxyphenyl)methylamino]methyl]thiophen-2-yl]propan-1-one with MolForge

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Related Compounds

N-[[5-(6-amino-2-methyl-3-pyridinyl)-2-methoxyphenyl]methyl]-3-chloro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[5-(2,6-dimethyl-4-pyridinyl)-2-ethoxyphenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[2-ethoxy-5-[6-(methylamino)-3-pyridinyl]phenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[2-methoxy-5-[6-(methylamino)-3-pyridinyl]phenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide
CID 157202872
N-[[5-(6-amino-2-methyl-3-pyridinyl)-2-methoxyphenyl]methyl]-3-chloro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[5-(2,6-dimethyl-4-pyridinyl)-2-ethoxyphenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;bis(3-chloro-N-[[2-ethoxy-5-[6-(methylamino)-3-pyridinyl]phenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide)
CID 157486844
3-chloro-4,7-difluoro-N-[[2-methoxy-5-(2-methyl-4-pyridinyl)phenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[5-[2-(dimethylamino)-4-pyridinyl]-2-methoxyphenyl]methyl]-4,7-difluoro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[5-(2-ethyl-4-pyridinyl)-2-methoxyphenyl]methyl]-4,7-difluoro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide
CID 157536701
N-[[5-(4-acetylphenyl)-2-methoxyphenyl]methyl]-3-chloro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;N-[[5-(6-amino-3-pyridinyl)-2-methoxyphenyl]methyl]-3-chloro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[2-methoxy-5-[4-[methyl(prop-1-en-2-yl)amino]phenyl]phenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[2-methoxy-5-(6-methyl-3-pyridinyl)phenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide
CID 159614414
3-chloro-4,7-difluoro-N-[[2-methoxy-5-(2-methyl-4-pyridinyl)phenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[5-[2-(dimethylamino)-4-pyridinyl]-2-methoxyphenyl]methyl]-4,7-difluoro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[5-(2,6-dimethyl-4-pyridinyl)-2-methoxyphenyl]methyl]-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[5-(2-ethyl-4-pyridinyl)-2-methoxyphenyl]methyl]-4,7-difluoro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide
CID 159824087
3-chloro-4,7-difluoro-N-[[2-methoxy-5-(2-methyl-4-pyridinyl)phenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[5-[2-(dimethylamino)-4-pyridinyl]-2-methoxyphenyl]methyl]-4,7-difluoro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[5-(2-ethyl-4-pyridinyl)-2-methoxyphenyl]methyl]-4,7-difluoro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;4-N-[(3-chloro-4-methyl-1-benzothiophen-2-yl)methyl]-4-N-[[5-(2,6-dimethyl-4-pyridinyl)-2-methoxyphenyl]methyl]-1-N-methylcyclohexane-1,4-diamine
CID 161136843
N-[[5-(4-acetylphenyl)-2-fluorophenyl]methyl]-3-chloro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;N-[[5-(2-acetyl-4-pyridinyl)-2-methoxyphenyl]methyl]-3-chloro-7-fluoro-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[5-[6-(dimethylamino)-3-pyridinyl]-2-methoxyphenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[2-methoxy-5-(6-methyl-3-pyridinyl)phenyl]methyl]-7-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide
CID 161595493
N-[[5-(4-acetylphenyl)-2-methoxyphenyl]methyl]-3-chloro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;N-[[5-(6-amino-3-pyridinyl)-2-methoxyphenyl]methyl]-3-chloro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[5-[2-(dimethylamino)pyrimidin-5-yl]-2-methoxyphenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[2-methoxy-5-[4-[methyl(prop-1-en-2-yl)amino]phenyl]phenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[2-methoxy-5-(6-methyl-3-pyridinyl)phenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide
CID 161818503
3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[[[4-[2-(dimethylamino)ethoxy]phenyl]methylamino]methyl]thiophen-2-yl]propan-1-one;3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[[(1-pyridin-4-ylpiperidin-4-yl)methylamino]methyl]thiophen-2-yl]propan-1-one;N-[(1-aminoisoquinolin-6-yl)methyl]-4-chloro-5-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-chloro-5-[[3-(4-propan-2-ylpiperazin-1-yl)propylamino]methyl]thiophene-2-carboxamide;1-[2-[[5-[3-(1-aminoisoquinolin-6-yl)propanoyl]-3-chlorothiophen-2-yl]methylamino]ethyl]pyrrolidin-2-one
CID 167535069
3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]thiophen-2-yl]propan-1-one;3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[[methyl(oxan-4-yl)amino]methyl]thiophen-2-yl]propan-1-one;3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[[methyl-[(1-pyridin-4-ylpiperidin-4-yl)methyl]amino]methyl]thiophen-2-yl]propan-1-one;N-[(1-aminoisoquinolin-6-yl)methyl]-4-chloro-5-[[[3-[3-(dimethylamino)propoxy]phenyl]methyl-methylamino]methyl]thiophene-2-carboxamide
CID 167567463
5-[(3-acetamidopropylamino)methyl]-N-[(1-aminoisoquinolin-6-yl)methyl]-4-chlorothiophene-2-carboxamide;3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[(4-methoxyanilino)methyl]thiophen-2-yl]propan-1-one;3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[(4-methylsulfonylanilino)methyl]thiophen-2-yl]propan-1-one;4-[[[5-[3-(1-aminoisoquinolin-6-yl)propanoyl]-3-chlorothiophen-2-yl]methylamino]methyl]benzonitrile
CID 167634893
3-(1-Aminoisoquinolin-6-yl)-1-[4-chloro-5-(2-morpholin-4-ylethoxymethyl)thiophen-2-yl]propan-1-one;3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[(3-piperazin-1-ylphenoxy)methyl]thiophen-2-yl]propan-1-one;3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[(4-piperazin-1-ylphenoxy)methyl]thiophen-2-yl]propan-1-one;1-[4-[[5-[3-(1-aminoisoquinolin-6-yl)propanoyl]-3-chlorothiophen-2-yl]methoxy]phenyl]-1-methyl-3-propan-2-ylurea
CID 167635314

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[[[2-(dimethylamino)phenyl]methylamino]methyl]thiophen-2-yl]propan-1-one;3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[[(2-methoxyphenyl)methylamino]methyl]thiophen-2-yl]propan-1-one;3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[[(3-methoxyphenyl)methylamino]methyl]thiophen-2-yl]propan-1-one;3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[[(4-methoxyphenyl)methylamino]methyl]thiophen-2-yl]propan-1-one?
The IUPAC name of 3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[[[2-(dimethylamino)phenyl]methylamino]methyl]thiophen-2-yl]propan-1-one;3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[[(2-methoxyphenyl)methylamino]methyl]thiophen-2-yl]propan-1-one;3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[[(3-methoxyphenyl)methylamino]methyl]thiophen-2-yl]propan-1-one;3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[[(4-methoxyphenyl)methylamino]methyl]thiophen-2-yl]propan-1-one (CID 167542507) is 3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[[[2-(dimethylamino)phenyl]methylamino]methyl]thiophen-2-yl]propan-1-one;3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[[(2-methoxyphenyl)methylamino]methyl]thiophen-2-yl]propan-1-one;3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[[(3-methoxyphenyl)methylamino]methyl]thiophen-2-yl]propan-1-one;3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[[(4-methoxyphenyl)methylamino]methyl]thiophen-2-yl]propan-1-one.
What is the SMILES notation for 3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[[[2-(dimethylamino)phenyl]methylamino]methyl]thiophen-2-yl]propan-1-one;3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[[(2-methoxyphenyl)methylamino]methyl]thiophen-2-yl]propan-1-one;3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[[(3-methoxyphenyl)methylamino]methyl]thiophen-2-yl]propan-1-one;3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[[(4-methoxyphenyl)methylamino]methyl]thiophen-2-yl]propan-1-one?
The canonical SMILES for 3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[[[2-(dimethylamino)phenyl]methylamino]methyl]thiophen-2-yl]propan-1-one;3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[[(2-methoxyphenyl)methylamino]methyl]thiophen-2-yl]propan-1-one;3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[[(3-methoxyphenyl)methylamino]methyl]thiophen-2-yl]propan-1-one;3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[[(4-methoxyphenyl)methylamino]methyl]thiophen-2-yl]propan-1-one is CN(C)c1ccccc1CNCc1sc(C(=O)CCc2ccc3c(N)nccc3c2)cc1Cl.COc1ccc(CNCc2sc(C(=O)CCc3ccc4c(N)nccc4c3)cc2Cl)cc1.COc1cccc(CNCc2sc(C(=O)CCc3ccc4c(N)nccc4c3)cc2Cl)c1.COc1ccccc1CNCc1sc(C(=O)CCc2ccc3c(N)nccc3c2)cc1Cl.
What is the InChIKey of 3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[[[2-(dimethylamino)phenyl]methylamino]methyl]thiophen-2-yl]propan-1-one;3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[[(2-methoxyphenyl)methylamino]methyl]thiophen-2-yl]propan-1-one;3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[[(3-methoxyphenyl)methylamino]methyl]thiophen-2-yl]propan-1-one;3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[[(4-methoxyphenyl)methylamino]methyl]thiophen-2-yl]propan-1-one?
The InChIKey is BJKHTXARCKDKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN4OS.3C25H24ClN3O2S/c1-31(2)22-6-4-3-5-19(22)15-29-16-25-21(27)14-24(33-25)23(32)10-8-17-7-9-20-18(13-17)11-12-30-26(20)28;1-31-19-6-2-17(3-7-19)14-28-15-24-21(26)13-23(32-24)22(30)9-5-16-4-8-20-18(12-16)10-11-29-25(20)27;1-31-19-4-2-3-17(12-19)14-28-15-24-21(26)13-23(32-24)22(30)8-6-16-5-7-20-18(11-16)9-10-29-25(20)27;1-31-22-5-3-2-4-18(22)14-28-15-24-20(26)13-23(32-24)21(30)9-7-16-6-8-19-17(12-16)10-11-29-25(19)27/h3-7,9,11-14,29H,8,10,15-16H2,1-2H3,(H2,28,30);2-4,6-8,10-13,28H,5,9,14-15H2,1H3,(H2,27,29);2-5,7,9-13,28H,6,8,14-15H2,1H3,(H2,27,29);2-6,8,10-13,28H,7,9,14-15H2,1H3,(H2,27,29).
What are the key properties of 3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[[[2-(dimethylamino)phenyl]methylamino]methyl]thiophen-2-yl]propan-1-one;3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[[(2-methoxyphenyl)methylamino]methyl]thiophen-2-yl]propan-1-one;3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[[(3-methoxyphenyl)methylamino]methyl]thiophen-2-yl]propan-1-one;3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[[(4-methoxyphenyl)methylamino]methyl]thiophen-2-yl]propan-1-one?
3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[[[2-(dimethylamino)phenyl]methylamino]methyl]thiophen-2-yl]propan-1-one;3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[[(2-methoxyphenyl)methylamino]methyl]thiophen-2-yl]propan-1-one;3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[[(3-methoxyphenyl)methylamino]methyl]thiophen-2-yl]propan-1-one;3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[[(4-methoxyphenyl)methylamino]methyl]thiophen-2-yl]propan-1-one has a molecular weight of 1877.07 g/mol, XLogP of 22.64, 36 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[[[2-(dimethylamino)phenyl]methylamino]methyl]thiophen-2-yl]propan-1-one;3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[[(2-methoxyphenyl)methylamino]methyl]thiophen-2-yl]propan-1-one;3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[[(3-methoxyphenyl)methylamino]methyl]thiophen-2-yl]propan-1-one;3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[[(4-methoxyphenyl)methylamino]methyl]thiophen-2-yl]propan-1-one is sourced from PubChem (CID 167542507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).