2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-[[2-(dimethylamino)ethylamino]methyl]benzamide;2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide;2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-[(4-hydroxypiperidin-1-yl)methyl]benzamide;6-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)pyridine-3-carboxamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-methoxybenzamide

C126H104Cl9N15O9S — CID 159660460

IUPAC2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-[[2-(dimethylamino)ethylamino]methyl]benzamide;2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide;2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-[(4-hydroxypiperidin-1-yl)methyl]benzamide;6-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)pyridine-3-carboxamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-methoxybenzamide
SMILESCN(C)CCNCc1ccc(C(=O)Nc2ccc(Cl)c(-c3nccc4ccccc34)c2)c(Cl)c1.COc1ccc(C(=O)Nc2ccc(Cl)c(-c3nccc4ccccc34)c2)cc1.O=C(Nc1ccc(Cl)c(-c2nccc3ccccc23)c1)c1ccc(CN2CCC(O)CC2)cc1Cl.O=C(Nc1ccc(Cl)c(-c2nccc3ccccc23)c1)c1ccc(CN2CCS(=O)(=O)CC2)cc1Cl.O=C(Nc1ccc(Cl)c(-c2nccc3ccccc23)c1)c1ccc(Cl)nc1
InChIInChI=1S/C28H25Cl2N3O2.C27H26Cl2N4O.C27H23Cl2N3O3S.C23H17ClN2O2.C21H13Cl2N3O/c29-25-8-6-20(16-24(25)27-22-4-2-1-3-19(22)9-12-31-27)32-28(35)23-7-5-18(15-26(23)30)17-33-13-10-21(34)11-14-33;1-33(2)14-13-30-17-18-7-9-22(25(29)15-18)27(34)32-20-8-10-24(28)23(16-20)26-21-6-4-3-5-19(21)11-12-31-26;28-24-8-6-20(16-23(24)26-21-4-2-1-3-19(21)9-10-30-26)31-27(33)22-7-5-18(15-25(22)29)17-32-11-13-36(34,35)14-12-32;1-28-18-9-6-16(7-10-18)23(27)26-17-8-11-21(24)20(14-17)22-19-5-3-2-4-15(19)12-13-25-22;22-18-7-6-15(26-21(27)14-5-8-19(23)25-12-14)11-17(18)20-16-4-2-1-3-13(16)9-10-24-20/h1-9,12,15-16,21,34H,10-11,13-14,17H2,(H,32,35);3-12,15-16,30H,13-14,17H2,1-2H3,(H,32,34);1-10,15-16H,11-14,17H2,(H,31,33);2-14H,1H3,(H,26,27);1-12H,(H,26,27)
InChIKeyMSSRHDSWZWMUMI-UHFFFAOYSA-N
MW2323.46 g/mol
LogP29.89
Rot. Bonds25

About 2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-[[2-(dimethylamino)ethylamino]methyl]benzamide;2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide;2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-[(4-hydroxypiperidin-1-yl)methyl]benzamide;6-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)pyridine-3-carboxamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-methoxybenzamide

2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-[[2-(dimethylamino)ethylamino]methyl]benzamide;2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide;2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-[(4-hydroxypiperidin-1-yl)methyl]benzamide;6-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)pyridine-3-carboxamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-methoxybenzamide (PubChem CID 159660460) has the molecular formula C126H104Cl9N15O9S and a molecular weight of 2323.46 g/mol. Its IUPAC name is 2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-[[2-(dimethylamino)ethylamino]methyl]benzamide;2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide;2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-[(4-hydroxypiperidin-1-yl)methyl]benzamide;6-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)pyridine-3-carboxamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-methoxybenzamide.

Molecular Properties

Compound Name2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-[[2-(dimethylamino)ethylamino]methyl]benzamide;2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide;2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-[(4-hydroxypiperidin-1-yl)methyl]benzamide;6-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)pyridine-3-carboxamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-methoxybenzamide
PubChem CID159660460
Molecular FormulaC126H104Cl9N15O9S
Molecular Weight2323.46 g/mol
Exact Mass2317.51
IUPAC Name2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-[[2-(dimethylamino)ethylamino]methyl]benzamide;2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide;2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-[(4-hydroxypiperidin-1-yl)methyl]benzamide;6-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)pyridine-3-carboxamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-methoxybenzamide
SMILESCN(C)CCNCc1ccc(C(=O)Nc2ccc(Cl)c(-c3nccc4ccccc34)c2)c(Cl)c1.COc1ccc(C(=O)Nc2ccc(Cl)c(-c3nccc4ccccc34)c2)cc1.O=C(Nc1ccc(Cl)c(-c2nccc3ccccc23)c1)c1ccc(CN2CCC(O)CC2)cc1Cl.O=C(Nc1ccc(Cl)c(-c2nccc3ccccc23)c1)c1ccc(CN2CCS(=O)(=O)CC2)cc1Cl.O=C(Nc1ccc(Cl)c(-c2nccc3ccccc23)c1)c1ccc(Cl)nc1
InChIInChI=1S/C28H25Cl2N3O2.C27H26Cl2N4O.C27H23Cl2N3O3S.C23H17ClN2O2.C21H13Cl2N3O/c29-25-8-6-20(16-24(25)27-22-4-2-1-3-19(22)9-12-31-27)32-28(35)23-7-5-18(15-26(23)30)17-33-13-10-21(34)11-14-33;1-33(2)14-13-30-17-18-7-9-22(25(29)15-18)27(34)32-20-8-10-24(28)23(16-20)26-21-6-4-3-5-19(21)11-12-31-26;28-24-8-6-20(16-23(24)26-21-4-2-1-3-19(21)9-10-30-26)31-27(33)22-7-5-18(15-25(22)29)17-32-11-13-36(34,35)14-12-32;1-28-18-9-6-16(7-10-18)23(27)26-17-8-11-21(24)20(14-17)22-19-5-3-2-4-15(19)12-13-25-22;22-18-7-6-15(26-21(27)14-5-8-19(23)25-12-14)11-17(18)20-16-4-2-1-3-13(16)9-10-24-20/h1-9,12,15-16,21,34H,10-11,13-14,17H2,(H,32,35);3-12,15-16,30H,13-14,17H2,1-2H3,(H,32,34);1-10,15-16H,11-14,17H2,(H,31,33);2-14H,1H3,(H,26,27);1-12H,(H,26,27)
InChIKeyMSSRHDSWZWMUMI-UHFFFAOYSA-N
XLogP29.89
TPSA308.19 Ų
H-Bond Donors7
H-Bond Acceptors19
Rotatable Bonds25
Heavy Atoms160
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002323.46
LogP ≤ 529.89
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-[[2-(dimethylamino)ethylamino]methyl]benzamide;2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide;2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-[(4-hydroxypiperidin-1-yl)methyl]benzamide;6-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)pyridine-3-carboxamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-methoxybenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-[[2-(dimethylamino)ethylamino]methyl]benzamide;2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide;2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-[(4-hydroxypiperidin-1-yl)methyl]benzamide;6-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)pyridine-3-carboxamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-methoxybenzamide?
The IUPAC name of 2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-[[2-(dimethylamino)ethylamino]methyl]benzamide;2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide;2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-[(4-hydroxypiperidin-1-yl)methyl]benzamide;6-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)pyridine-3-carboxamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-methoxybenzamide (CID 159660460) is 2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-[[2-(dimethylamino)ethylamino]methyl]benzamide;2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide;2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-[(4-hydroxypiperidin-1-yl)methyl]benzamide;6-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)pyridine-3-carboxamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-methoxybenzamide.
What is the SMILES notation for 2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-[[2-(dimethylamino)ethylamino]methyl]benzamide;2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide;2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-[(4-hydroxypiperidin-1-yl)methyl]benzamide;6-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)pyridine-3-carboxamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-methoxybenzamide?
The canonical SMILES for 2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-[[2-(dimethylamino)ethylamino]methyl]benzamide;2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide;2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-[(4-hydroxypiperidin-1-yl)methyl]benzamide;6-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)pyridine-3-carboxamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-methoxybenzamide is CN(C)CCNCc1ccc(C(=O)Nc2ccc(Cl)c(-c3nccc4ccccc34)c2)c(Cl)c1.COc1ccc(C(=O)Nc2ccc(Cl)c(-c3nccc4ccccc34)c2)cc1.O=C(Nc1ccc(Cl)c(-c2nccc3ccccc23)c1)c1ccc(CN2CCC(O)CC2)cc1Cl.O=C(Nc1ccc(Cl)c(-c2nccc3ccccc23)c1)c1ccc(CN2CCS(=O)(=O)CC2)cc1Cl.O=C(Nc1ccc(Cl)c(-c2nccc3ccccc23)c1)c1ccc(Cl)nc1.
What is the InChIKey of 2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-[[2-(dimethylamino)ethylamino]methyl]benzamide;2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide;2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-[(4-hydroxypiperidin-1-yl)methyl]benzamide;6-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)pyridine-3-carboxamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-methoxybenzamide?
The InChIKey is MSSRHDSWZWMUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25Cl2N3O2.C27H26Cl2N4O.C27H23Cl2N3O3S.C23H17ClN2O2.C21H13Cl2N3O/c29-25-8-6-20(16-24(25)27-22-4-2-1-3-19(22)9-12-31-27)32-28(35)23-7-5-18(15-26(23)30)17-33-13-10-21(34)11-14-33;1-33(2)14-13-30-17-18-7-9-22(25(29)15-18)27(34)32-20-8-10-24(28)23(16-20)26-21-6-4-3-5-19(21)11-12-31-26;28-24-8-6-20(16-23(24)26-21-4-2-1-3-19(21)9-10-30-26)31-27(33)22-7-5-18(15-25(22)29)17-32-11-13-36(34,35)14-12-32;1-28-18-9-6-16(7-10-18)23(27)26-17-8-11-21(24)20(14-17)22-19-5-3-2-4-15(19)12-13-25-22;22-18-7-6-15(26-21(27)14-5-8-19(23)25-12-14)11-17(18)20-16-4-2-1-3-13(16)9-10-24-20/h1-9,12,15-16,21,34H,10-11,13-14,17H2,(H,32,35);3-12,15-16,30H,13-14,17H2,1-2H3,(H,32,34);1-10,15-16H,11-14,17H2,(H,31,33);2-14H,1H3,(H,26,27);1-12H,(H,26,27).
What are the key properties of 2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-[[2-(dimethylamino)ethylamino]methyl]benzamide;2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide;2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-[(4-hydroxypiperidin-1-yl)methyl]benzamide;6-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)pyridine-3-carboxamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-methoxybenzamide?
2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-[[2-(dimethylamino)ethylamino]methyl]benzamide;2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide;2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-[(4-hydroxypiperidin-1-yl)methyl]benzamide;6-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)pyridine-3-carboxamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-methoxybenzamide has a molecular weight of 2323.46 g/mol, XLogP of 29.89, 25 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-[[2-(dimethylamino)ethylamino]methyl]benzamide;2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide;2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-[(4-hydroxypiperidin-1-yl)methyl]benzamide;6-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)pyridine-3-carboxamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-methoxybenzamide is sourced from PubChem (CID 159660460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).