N-(4-chloro-3-isoquinolin-1-ylphenyl)-3,5-dimethoxybenzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(2-hydroxyethylsulfamoyl)benzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-3-morpholin-4-ylsulfonylbenzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-morpholin-4-ylsulfonylbenzamide

C123H98Cl5F3N14O16S3 — CID 157383365

IUPACN-(4-chloro-3-isoquinolin-1-ylphenyl)-3,5-dimethoxybenzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(2-hydroxyethylsulfamoyl)benzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-3-morpholin-4-ylsulfonylbenzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-morpholin-4-ylsulfonylbenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(Cl)c(-c3nccc4ccccc34)c2)c1.Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2nccc3ccccc23)c1.O=C(Nc1ccc(Cl)c(-c2nccc3ccccc23)c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1.O=C(Nc1ccc(Cl)c(-c2nccc3ccccc23)c1)c1ccc(S(=O)(=O)NCCO)cc1.O=C(Nc1ccc(Cl)c(-c2nccc3ccccc23)c1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/2C26H22ClN3O4S.C24H20ClN3O4S.C24H19ClN2O3.C23H15ClF3N3O/c27-24-9-8-20(17-23(24)25-22-7-2-1-4-18(22)10-11-28-25)29-26(31)19-5-3-6-21(16-19)35(32,33)30-12-14-34-15-13-30;27-24-10-7-20(17-23(24)25-22-4-2-1-3-18(22)11-12-28-25)29-26(31)19-5-8-21(9-6-19)35(32,33)30-13-15-34-16-14-30;25-22-10-7-18(15-21(22)23-20-4-2-1-3-16(20)11-12-26-23)28-24(30)17-5-8-19(9-6-17)33(31,32)27-13-14-29;1-29-18-11-16(12-19(14-18)30-2)24(28)27-17-7-8-22(25)21(13-17)23-20-6-4-3-5-15(20)9-10-26-23;1-13-16(7-9-20(29-13)23(25,26)27)22(31)30-15-6-8-19(24)18(12-15)21-17-5-3-2-4-14(17)10-11-28-21/h1-11,16-17H,12-15H2,(H,29,31);1-12,17H,13-16H2,(H,29,31);1-12,15,27,29H,13-14H2,(H,28,30);3-14H,1-2H3,(H,27,28);2-12H,1H3,(H,30,31)
InChIKeyBLDLVDSDUYVXPS-UHFFFAOYSA-N
MW2358.68 g/mol
LogP26.09
Rot. Bonds25

About N-(4-chloro-3-isoquinolin-1-ylphenyl)-3,5-dimethoxybenzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(2-hydroxyethylsulfamoyl)benzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-3-morpholin-4-ylsulfonylbenzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-morpholin-4-ylsulfonylbenzamide

N-(4-chloro-3-isoquinolin-1-ylphenyl)-3,5-dimethoxybenzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(2-hydroxyethylsulfamoyl)benzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-3-morpholin-4-ylsulfonylbenzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-morpholin-4-ylsulfonylbenzamide (PubChem CID 157383365) has the molecular formula C123H98Cl5F3N14O16S3 and a molecular weight of 2358.68 g/mol. Its IUPAC name is N-(4-chloro-3-isoquinolin-1-ylphenyl)-3,5-dimethoxybenzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(2-hydroxyethylsulfamoyl)benzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-3-morpholin-4-ylsulfonylbenzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-chloro-3-isoquinolin-1-ylphenyl)-3,5-dimethoxybenzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(2-hydroxyethylsulfamoyl)benzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-3-morpholin-4-ylsulfonylbenzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-morpholin-4-ylsulfonylbenzamide
PubChem CID157383365
Molecular FormulaC123H98Cl5F3N14O16S3
Molecular Weight2358.68 g/mol
Exact Mass2354.48
IUPAC NameN-(4-chloro-3-isoquinolin-1-ylphenyl)-3,5-dimethoxybenzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(2-hydroxyethylsulfamoyl)benzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-3-morpholin-4-ylsulfonylbenzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-morpholin-4-ylsulfonylbenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(Cl)c(-c3nccc4ccccc34)c2)c1.Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2nccc3ccccc23)c1.O=C(Nc1ccc(Cl)c(-c2nccc3ccccc23)c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1.O=C(Nc1ccc(Cl)c(-c2nccc3ccccc23)c1)c1ccc(S(=O)(=O)NCCO)cc1.O=C(Nc1ccc(Cl)c(-c2nccc3ccccc23)c1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/2C26H22ClN3O4S.C24H20ClN3O4S.C24H19ClN2O3.C23H15ClF3N3O/c27-24-9-8-20(17-23(24)25-22-7-2-1-4-18(22)10-11-28-25)29-26(31)19-5-3-6-21(16-19)35(32,33)30-12-14-34-15-13-30;27-24-10-7-20(17-23(24)25-22-4-2-1-3-18(22)11-12-28-25)29-26(31)19-5-8-21(9-6-19)35(32,33)30-13-15-34-16-14-30;25-22-10-7-18(15-21(22)23-20-4-2-1-3-16(20)11-12-26-23)28-24(30)17-5-8-19(9-6-17)33(31,32)27-13-14-29;1-29-18-11-16(12-19(14-18)30-2)24(28)27-17-7-8-22(25)21(13-17)23-20-6-4-3-5-15(20)9-10-26-23;1-13-16(7-9-20(29-13)23(25,26)27)22(31)30-15-6-8-19(24)18(12-15)21-17-5-3-2-4-14(17)10-11-28-21/h1-11,16-17H,12-15H2,(H,29,31);1-12,17H,13-16H2,(H,29,31);1-12,15,27,29H,13-14H2,(H,28,30);3-14H,1-2H3,(H,27,28);2-12H,1H3,(H,30,31)
InChIKeyBLDLVDSDUYVXPS-UHFFFAOYSA-N
XLogP26.09
TPSA400.92 Ų
H-Bond Donors7
H-Bond Acceptors22
Rotatable Bonds25
Heavy Atoms164
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002358.68
LogP ≤ 526.09
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1022

Analyze N-(4-chloro-3-isoquinolin-1-ylphenyl)-3,5-dimethoxybenzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(2-hydroxyethylsulfamoyl)benzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-3-morpholin-4-ylsulfonylbenzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-morpholin-4-ylsulfonylbenzamide with MolForge

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Related Compounds

2-chloro-N-[4-chloro-3-[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2-pyridinyl]phenyl]-4-methylsulfonylbenzamide;6-[2-chloro-5-[(2-chloro-4-methylsulfonylbenzoyl)amino]phenyl]-N-hydroxypyridine-3-carboxamide;6-[2-chloro-5-[(3,5-dimethoxybenzoyl)amino]phenyl]-N-hydroxypyridine-3-carboxamide;N-[4-chloro-3-[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2-pyridinyl]phenyl]-3,5-dimethoxybenzamide;N-[4-chloro-3-[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 160949154

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-isoquinolin-1-ylphenyl)-3,5-dimethoxybenzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(2-hydroxyethylsulfamoyl)benzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-3-morpholin-4-ylsulfonylbenzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(4-chloro-3-isoquinolin-1-ylphenyl)-3,5-dimethoxybenzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(2-hydroxyethylsulfamoyl)benzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-3-morpholin-4-ylsulfonylbenzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-morpholin-4-ylsulfonylbenzamide (CID 157383365) is N-(4-chloro-3-isoquinolin-1-ylphenyl)-3,5-dimethoxybenzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(2-hydroxyethylsulfamoyl)benzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-3-morpholin-4-ylsulfonylbenzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(4-chloro-3-isoquinolin-1-ylphenyl)-3,5-dimethoxybenzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(2-hydroxyethylsulfamoyl)benzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-3-morpholin-4-ylsulfonylbenzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(4-chloro-3-isoquinolin-1-ylphenyl)-3,5-dimethoxybenzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(2-hydroxyethylsulfamoyl)benzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-3-morpholin-4-ylsulfonylbenzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-morpholin-4-ylsulfonylbenzamide is COc1cc(OC)cc(C(=O)Nc2ccc(Cl)c(-c3nccc4ccccc34)c2)c1.Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2nccc3ccccc23)c1.O=C(Nc1ccc(Cl)c(-c2nccc3ccccc23)c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1.O=C(Nc1ccc(Cl)c(-c2nccc3ccccc23)c1)c1ccc(S(=O)(=O)NCCO)cc1.O=C(Nc1ccc(Cl)c(-c2nccc3ccccc23)c1)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-(4-chloro-3-isoquinolin-1-ylphenyl)-3,5-dimethoxybenzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(2-hydroxyethylsulfamoyl)benzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-3-morpholin-4-ylsulfonylbenzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-morpholin-4-ylsulfonylbenzamide?
The InChIKey is BLDLVDSDUYVXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H22ClN3O4S.C24H20ClN3O4S.C24H19ClN2O3.C23H15ClF3N3O/c27-24-9-8-20(17-23(24)25-22-7-2-1-4-18(22)10-11-28-25)29-26(31)19-5-3-6-21(16-19)35(32,33)30-12-14-34-15-13-30;27-24-10-7-20(17-23(24)25-22-4-2-1-3-18(22)11-12-28-25)29-26(31)19-5-8-21(9-6-19)35(32,33)30-13-15-34-16-14-30;25-22-10-7-18(15-21(22)23-20-4-2-1-3-16(20)11-12-26-23)28-24(30)17-5-8-19(9-6-17)33(31,32)27-13-14-29;1-29-18-11-16(12-19(14-18)30-2)24(28)27-17-7-8-22(25)21(13-17)23-20-6-4-3-5-15(20)9-10-26-23;1-13-16(7-9-20(29-13)23(25,26)27)22(31)30-15-6-8-19(24)18(12-15)21-17-5-3-2-4-14(17)10-11-28-21/h1-11,16-17H,12-15H2,(H,29,31);1-12,17H,13-16H2,(H,29,31);1-12,15,27,29H,13-14H2,(H,28,30);3-14H,1-2H3,(H,27,28);2-12H,1H3,(H,30,31).
What are the key properties of N-(4-chloro-3-isoquinolin-1-ylphenyl)-3,5-dimethoxybenzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(2-hydroxyethylsulfamoyl)benzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-3-morpholin-4-ylsulfonylbenzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-morpholin-4-ylsulfonylbenzamide?
N-(4-chloro-3-isoquinolin-1-ylphenyl)-3,5-dimethoxybenzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(2-hydroxyethylsulfamoyl)benzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-3-morpholin-4-ylsulfonylbenzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-morpholin-4-ylsulfonylbenzamide has a molecular weight of 2358.68 g/mol, XLogP of 26.09, 25 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-isoquinolin-1-ylphenyl)-3,5-dimethoxybenzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(2-hydroxyethylsulfamoyl)benzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-3-morpholin-4-ylsulfonylbenzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 157383365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).