4-chloro-N-[(2-chloro-4-methylsulfonylphenyl)methyl]-3-isoquinolin-1-ylaniline;4-chloro-3-isoquinolin-1-yl-N-[(2-methyl-6-morpholin-4-yl-3-pyridinyl)methyl]aniline;4-chloro-3-isoquinolin-1-yl-N-[(2-methyl-6-piperazin-1-yl-3-pyridinyl)methyl]aniline;4-chloro-3-isoquinolin-1-yl-N-[1-(4-methylsulfonylphenyl)ethyl]aniline;2-chloro-4-methylsulfonyl-N-(3-quinazolin-4-ylphenyl)benzamide

C121H106Cl6N16O8S3 — CID 158649089

IUPAC4-chloro-N-[(2-chloro-4-methylsulfonylphenyl)methyl]-3-isoquinolin-1-ylaniline;4-chloro-3-isoquinolin-1-yl-N-[(2-methyl-6-morpholin-4-yl-3-pyridinyl)methyl]aniline;4-chloro-3-isoquinolin-1-yl-N-[(2-methyl-6-piperazin-1-yl-3-pyridinyl)methyl]aniline;4-chloro-3-isoquinolin-1-yl-N-[1-(4-methylsulfonylphenyl)ethyl]aniline;2-chloro-4-methylsulfonyl-N-(3-quinazolin-4-ylphenyl)benzamide
SMILESCC(Nc1ccc(Cl)c(-c2nccc3ccccc23)c1)c1ccc(S(C)(=O)=O)cc1.CS(=O)(=O)c1ccc(C(=O)Nc2cccc(-c3ncnc4ccccc34)c2)c(Cl)c1.CS(=O)(=O)c1ccc(CNc2ccc(Cl)c(-c3nccc4ccccc34)c2)c(Cl)c1.Cc1nc(N2CCNCC2)ccc1CNc1ccc(Cl)c(-c2nccc3ccccc23)c1.Cc1nc(N2CCOCC2)ccc1CNc1ccc(Cl)c(-c2nccc3ccccc23)c1
InChIInChI=1S/C26H26ClN5.C26H25ClN4O.C24H21ClN2O2S.C23H18Cl2N2O2S.C22H16ClN3O3S/c1-18-20(6-9-25(31-18)32-14-12-28-13-15-32)17-30-21-7-8-24(27)23(16-21)26-22-5-3-2-4-19(22)10-11-29-26;1-18-20(6-9-25(30-18)31-12-14-32-15-13-31)17-29-21-7-8-24(27)23(16-21)26-22-5-3-2-4-19(22)10-11-28-26;1-16(17-7-10-20(11-8-17)30(2,28)29)27-19-9-12-23(25)22(15-19)24-21-6-4-3-5-18(21)13-14-26-24;1-30(28,29)18-8-6-16(22(25)13-18)14-27-17-7-9-21(24)20(12-17)23-19-5-3-2-4-15(19)10-11-26-23;1-30(28,29)16-9-10-17(19(23)12-16)22(27)26-15-6-4-5-14(11-15)21-18-7-2-3-8-20(18)24-13-25-21/h2-11,16,28,30H,12-15,17H2,1H3;2-11,16,29H,12-15,17H2,1H3;3-16,27H,1-2H3;2-13,27H,14H2,1H3;2-13H,1H3,(H,26,27)
InChIKeyIBIDKRQEJLIQCC-UHFFFAOYSA-N
MW2221.20 g/mol
LogP27.95
Rot. Bonds24

About 4-chloro-N-[(2-chloro-4-methylsulfonylphenyl)methyl]-3-isoquinolin-1-ylaniline;4-chloro-3-isoquinolin-1-yl-N-[(2-methyl-6-morpholin-4-yl-3-pyridinyl)methyl]aniline;4-chloro-3-isoquinolin-1-yl-N-[(2-methyl-6-piperazin-1-yl-3-pyridinyl)methyl]aniline;4-chloro-3-isoquinolin-1-yl-N-[1-(4-methylsulfonylphenyl)ethyl]aniline;2-chloro-4-methylsulfonyl-N-(3-quinazolin-4-ylphenyl)benzamide

4-chloro-N-[(2-chloro-4-methylsulfonylphenyl)methyl]-3-isoquinolin-1-ylaniline;4-chloro-3-isoquinolin-1-yl-N-[(2-methyl-6-morpholin-4-yl-3-pyridinyl)methyl]aniline;4-chloro-3-isoquinolin-1-yl-N-[(2-methyl-6-piperazin-1-yl-3-pyridinyl)methyl]aniline;4-chloro-3-isoquinolin-1-yl-N-[1-(4-methylsulfonylphenyl)ethyl]aniline;2-chloro-4-methylsulfonyl-N-(3-quinazolin-4-ylphenyl)benzamide (PubChem CID 158649089) has the molecular formula C121H106Cl6N16O8S3 and a molecular weight of 2221.20 g/mol. Its IUPAC name is 4-chloro-N-[(2-chloro-4-methylsulfonylphenyl)methyl]-3-isoquinolin-1-ylaniline;4-chloro-3-isoquinolin-1-yl-N-[(2-methyl-6-morpholin-4-yl-3-pyridinyl)methyl]aniline;4-chloro-3-isoquinolin-1-yl-N-[(2-methyl-6-piperazin-1-yl-3-pyridinyl)methyl]aniline;4-chloro-3-isoquinolin-1-yl-N-[1-(4-methylsulfonylphenyl)ethyl]aniline;2-chloro-4-methylsulfonyl-N-(3-quinazolin-4-ylphenyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-[(2-chloro-4-methylsulfonylphenyl)methyl]-3-isoquinolin-1-ylaniline;4-chloro-3-isoquinolin-1-yl-N-[(2-methyl-6-morpholin-4-yl-3-pyridinyl)methyl]aniline;4-chloro-3-isoquinolin-1-yl-N-[(2-methyl-6-piperazin-1-yl-3-pyridinyl)methyl]aniline;4-chloro-3-isoquinolin-1-yl-N-[1-(4-methylsulfonylphenyl)ethyl]aniline;2-chloro-4-methylsulfonyl-N-(3-quinazolin-4-ylphenyl)benzamide
PubChem CID158649089
Molecular FormulaC121H106Cl6N16O8S3
Molecular Weight2221.20 g/mol
Exact Mass2216.57
IUPAC Name4-chloro-N-[(2-chloro-4-methylsulfonylphenyl)methyl]-3-isoquinolin-1-ylaniline;4-chloro-3-isoquinolin-1-yl-N-[(2-methyl-6-morpholin-4-yl-3-pyridinyl)methyl]aniline;4-chloro-3-isoquinolin-1-yl-N-[(2-methyl-6-piperazin-1-yl-3-pyridinyl)methyl]aniline;4-chloro-3-isoquinolin-1-yl-N-[1-(4-methylsulfonylphenyl)ethyl]aniline;2-chloro-4-methylsulfonyl-N-(3-quinazolin-4-ylphenyl)benzamide
SMILESCC(Nc1ccc(Cl)c(-c2nccc3ccccc23)c1)c1ccc(S(C)(=O)=O)cc1.CS(=O)(=O)c1ccc(C(=O)Nc2cccc(-c3ncnc4ccccc34)c2)c(Cl)c1.CS(=O)(=O)c1ccc(CNc2ccc(Cl)c(-c3nccc4ccccc34)c2)c(Cl)c1.Cc1nc(N2CCNCC2)ccc1CNc1ccc(Cl)c(-c2nccc3ccccc23)c1.Cc1nc(N2CCOCC2)ccc1CNc1ccc(Cl)c(-c2nccc3ccccc23)c1
InChIInChI=1S/C26H26ClN5.C26H25ClN4O.C24H21ClN2O2S.C23H18Cl2N2O2S.C22H16ClN3O3S/c1-18-20(6-9-25(31-18)32-14-12-28-13-15-32)17-30-21-7-8-24(27)23(16-21)26-22-5-3-2-4-19(22)10-11-29-26;1-18-20(6-9-25(30-18)31-12-14-32-15-13-31)17-29-21-7-8-24(27)23(16-21)26-22-5-3-2-4-19(22)10-11-28-26;1-16(17-7-10-20(11-8-17)30(2,28)29)27-19-9-12-23(25)22(15-19)24-21-6-4-3-5-18(21)13-14-26-24;1-30(28,29)18-8-6-16(22(25)13-18)14-27-17-7-9-21(24)20(12-17)23-19-5-3-2-4-15(19)10-11-26-23;1-30(28,29)16-9-10-17(19(23)12-16)22(27)26-15-6-4-5-14(11-15)21-18-7-2-3-8-20(18)24-13-25-21/h2-11,16,28,30H,12-15,17H2,1H3;2-11,16,29H,12-15,17H2,1H3;3-16,27H,1-2H3;2-13,27H,14H2,1H3;2-13H,1H3,(H,26,27)
InChIKeyIBIDKRQEJLIQCC-UHFFFAOYSA-N
XLogP27.95
TPSA310.50 Ų
H-Bond Donors6
H-Bond Acceptors23
Rotatable Bonds24
Heavy Atoms154
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002221.20
LogP ≤ 527.95
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1023

Analyze 4-chloro-N-[(2-chloro-4-methylsulfonylphenyl)methyl]-3-isoquinolin-1-ylaniline;4-chloro-3-isoquinolin-1-yl-N-[(2-methyl-6-morpholin-4-yl-3-pyridinyl)methyl]aniline;4-chloro-3-isoquinolin-1-yl-N-[(2-methyl-6-piperazin-1-yl-3-pyridinyl)methyl]aniline;4-chloro-3-isoquinolin-1-yl-N-[1-(4-methylsulfonylphenyl)ethyl]aniline;2-chloro-4-methylsulfonyl-N-(3-quinazolin-4-ylphenyl)benzamide with MolForge

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Related Compounds

6-chloro-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[2-morpholin-4-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinoline-5-carboxamide
CID 58228154
6-[2-Chloro-4-(methylidene-oxo-pyridin-4-yl-lambda6-sulfanyl)phenyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-[methylidene-oxo-(2,2,2-trifluoroethyl)-lambda6-sulfanyl]-2-pyridinyl]-8-[2-(dimethylamino)ethyl]-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-[methylidene(oxan-4-yl)-lambda4-sulfanyl]phenyl]-2-[4-(piperidin-4-ylamino)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen;8-phenyl-2-[4-(piperidin-3-ylamino)anilino]-6-[4-thiophen-2-ylsulfonyl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one
CID 158759869
6-anilino-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-hydroxyethylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(trifluoromethylsulfonyl)benzamide
CID 159509894
5-acetamido-2-chloro-N-[2-(4-piperidin-4-ylsulfonylanilino)pyrimidin-5-yl]benzamide;N-(2-anilinopyrimidin-5-yl)-2-chloro-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-chloro-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-(quinolin-2-ylamino)benzamide;2-chloro-N-[2-[4-(3-pyrrolidin-1-ylpropyl)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzamide
CID 159913680
4-acetamido-N-(4-chloro-3-isoquinolin-1-ylphenyl)benzamide;4-acetamido-N-(4-chloro-3-quinazolin-4-ylphenyl)benzamide;2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 160031814
6-[4-(Benzenesulfonyl)-2-(trifluoromethyl)phenyl]-8-(cyclopropylmethyl)-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-[2-(dimethylamino)ethylsulfinyl]-2-pyridinyl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methoxyethylsulfonyl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)anilino]-6-(4-methyl-2-propan-2-ylsulfonylphenyl)-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen
CID 161176821
4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoline-2-carboxamide;4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-N-(2-morpholin-4-ylethyl)quinoline-2-carboxamide;4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-N-piperidin-4-ylquinoline-2-carboxamide
CID 157290281
N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(1,1-dioxothiazinan-2-yl)-2-fluorobenzamide;N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)benzamide;N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)benzamide;N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 157338789
N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-phenylpyrimidine-5-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-methylsulfonylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-propan-2-ylsulfonylbenzamide
CID 157341551
N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-fluoro-N-(3-isoquinolin-1-ylphenyl)benzamide
CID 157436019
N-(4-chloro-3-pyridin-2-ylphenyl)-4-[2-(dimethylamino)ethylsulfamoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[3-(dimethylamino)propylsulfonyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-methoxyethylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide
CID 157573939
N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)benzamide;4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzamide;4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-N-(4-methyl-3-quinazolin-2-ylphenyl)benzamide;4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-N-(4-methyl-3-quinolin-2-ylphenyl)benzamide
CID 157603342

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2-chloro-4-methylsulfonylphenyl)methyl]-3-isoquinolin-1-ylaniline;4-chloro-3-isoquinolin-1-yl-N-[(2-methyl-6-morpholin-4-yl-3-pyridinyl)methyl]aniline;4-chloro-3-isoquinolin-1-yl-N-[(2-methyl-6-piperazin-1-yl-3-pyridinyl)methyl]aniline;4-chloro-3-isoquinolin-1-yl-N-[1-(4-methylsulfonylphenyl)ethyl]aniline;2-chloro-4-methylsulfonyl-N-(3-quinazolin-4-ylphenyl)benzamide?
The IUPAC name of 4-chloro-N-[(2-chloro-4-methylsulfonylphenyl)methyl]-3-isoquinolin-1-ylaniline;4-chloro-3-isoquinolin-1-yl-N-[(2-methyl-6-morpholin-4-yl-3-pyridinyl)methyl]aniline;4-chloro-3-isoquinolin-1-yl-N-[(2-methyl-6-piperazin-1-yl-3-pyridinyl)methyl]aniline;4-chloro-3-isoquinolin-1-yl-N-[1-(4-methylsulfonylphenyl)ethyl]aniline;2-chloro-4-methylsulfonyl-N-(3-quinazolin-4-ylphenyl)benzamide (CID 158649089) is 4-chloro-N-[(2-chloro-4-methylsulfonylphenyl)methyl]-3-isoquinolin-1-ylaniline;4-chloro-3-isoquinolin-1-yl-N-[(2-methyl-6-morpholin-4-yl-3-pyridinyl)methyl]aniline;4-chloro-3-isoquinolin-1-yl-N-[(2-methyl-6-piperazin-1-yl-3-pyridinyl)methyl]aniline;4-chloro-3-isoquinolin-1-yl-N-[1-(4-methylsulfonylphenyl)ethyl]aniline;2-chloro-4-methylsulfonyl-N-(3-quinazolin-4-ylphenyl)benzamide.
What is the SMILES notation for 4-chloro-N-[(2-chloro-4-methylsulfonylphenyl)methyl]-3-isoquinolin-1-ylaniline;4-chloro-3-isoquinolin-1-yl-N-[(2-methyl-6-morpholin-4-yl-3-pyridinyl)methyl]aniline;4-chloro-3-isoquinolin-1-yl-N-[(2-methyl-6-piperazin-1-yl-3-pyridinyl)methyl]aniline;4-chloro-3-isoquinolin-1-yl-N-[1-(4-methylsulfonylphenyl)ethyl]aniline;2-chloro-4-methylsulfonyl-N-(3-quinazolin-4-ylphenyl)benzamide?
The canonical SMILES for 4-chloro-N-[(2-chloro-4-methylsulfonylphenyl)methyl]-3-isoquinolin-1-ylaniline;4-chloro-3-isoquinolin-1-yl-N-[(2-methyl-6-morpholin-4-yl-3-pyridinyl)methyl]aniline;4-chloro-3-isoquinolin-1-yl-N-[(2-methyl-6-piperazin-1-yl-3-pyridinyl)methyl]aniline;4-chloro-3-isoquinolin-1-yl-N-[1-(4-methylsulfonylphenyl)ethyl]aniline;2-chloro-4-methylsulfonyl-N-(3-quinazolin-4-ylphenyl)benzamide is CC(Nc1ccc(Cl)c(-c2nccc3ccccc23)c1)c1ccc(S(C)(=O)=O)cc1.CS(=O)(=O)c1ccc(C(=O)Nc2cccc(-c3ncnc4ccccc34)c2)c(Cl)c1.CS(=O)(=O)c1ccc(CNc2ccc(Cl)c(-c3nccc4ccccc34)c2)c(Cl)c1.Cc1nc(N2CCNCC2)ccc1CNc1ccc(Cl)c(-c2nccc3ccccc23)c1.Cc1nc(N2CCOCC2)ccc1CNc1ccc(Cl)c(-c2nccc3ccccc23)c1.
What is the InChIKey of 4-chloro-N-[(2-chloro-4-methylsulfonylphenyl)methyl]-3-isoquinolin-1-ylaniline;4-chloro-3-isoquinolin-1-yl-N-[(2-methyl-6-morpholin-4-yl-3-pyridinyl)methyl]aniline;4-chloro-3-isoquinolin-1-yl-N-[(2-methyl-6-piperazin-1-yl-3-pyridinyl)methyl]aniline;4-chloro-3-isoquinolin-1-yl-N-[1-(4-methylsulfonylphenyl)ethyl]aniline;2-chloro-4-methylsulfonyl-N-(3-quinazolin-4-ylphenyl)benzamide?
The InChIKey is IBIDKRQEJLIQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN5.C26H25ClN4O.C24H21ClN2O2S.C23H18Cl2N2O2S.C22H16ClN3O3S/c1-18-20(6-9-25(31-18)32-14-12-28-13-15-32)17-30-21-7-8-24(27)23(16-21)26-22-5-3-2-4-19(22)10-11-29-26;1-18-20(6-9-25(30-18)31-12-14-32-15-13-31)17-29-21-7-8-24(27)23(16-21)26-22-5-3-2-4-19(22)10-11-28-26;1-16(17-7-10-20(11-8-17)30(2,28)29)27-19-9-12-23(25)22(15-19)24-21-6-4-3-5-18(21)13-14-26-24;1-30(28,29)18-8-6-16(22(25)13-18)14-27-17-7-9-21(24)20(12-17)23-19-5-3-2-4-15(19)10-11-26-23;1-30(28,29)16-9-10-17(19(23)12-16)22(27)26-15-6-4-5-14(11-15)21-18-7-2-3-8-20(18)24-13-25-21/h2-11,16,28,30H,12-15,17H2,1H3;2-11,16,29H,12-15,17H2,1H3;3-16,27H,1-2H3;2-13,27H,14H2,1H3;2-13H,1H3,(H,26,27).
What are the key properties of 4-chloro-N-[(2-chloro-4-methylsulfonylphenyl)methyl]-3-isoquinolin-1-ylaniline;4-chloro-3-isoquinolin-1-yl-N-[(2-methyl-6-morpholin-4-yl-3-pyridinyl)methyl]aniline;4-chloro-3-isoquinolin-1-yl-N-[(2-methyl-6-piperazin-1-yl-3-pyridinyl)methyl]aniline;4-chloro-3-isoquinolin-1-yl-N-[1-(4-methylsulfonylphenyl)ethyl]aniline;2-chloro-4-methylsulfonyl-N-(3-quinazolin-4-ylphenyl)benzamide?
4-chloro-N-[(2-chloro-4-methylsulfonylphenyl)methyl]-3-isoquinolin-1-ylaniline;4-chloro-3-isoquinolin-1-yl-N-[(2-methyl-6-morpholin-4-yl-3-pyridinyl)methyl]aniline;4-chloro-3-isoquinolin-1-yl-N-[(2-methyl-6-piperazin-1-yl-3-pyridinyl)methyl]aniline;4-chloro-3-isoquinolin-1-yl-N-[1-(4-methylsulfonylphenyl)ethyl]aniline;2-chloro-4-methylsulfonyl-N-(3-quinazolin-4-ylphenyl)benzamide has a molecular weight of 2221.20 g/mol, XLogP of 27.95, 24 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2-chloro-4-methylsulfonylphenyl)methyl]-3-isoquinolin-1-ylaniline;4-chloro-3-isoquinolin-1-yl-N-[(2-methyl-6-morpholin-4-yl-3-pyridinyl)methyl]aniline;4-chloro-3-isoquinolin-1-yl-N-[(2-methyl-6-piperazin-1-yl-3-pyridinyl)methyl]aniline;4-chloro-3-isoquinolin-1-yl-N-[1-(4-methylsulfonylphenyl)ethyl]aniline;2-chloro-4-methylsulfonyl-N-(3-quinazolin-4-ylphenyl)benzamide is sourced from PubChem (CID 158649089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).