4-N-tert-butyl-2-chloro-1-N-(4-chloro-3-isoquinolin-1-ylphenyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-N-pyridin-2-ylbenzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-N-pyridin-4-ylbenzene-1,4-dicarboxamide

C109H80Cl8N14O8 — CID 157132908

About 4-N-tert-butyl-2-chloro-1-N-(4-chloro-3-isoquinolin-1-ylphenyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-N-pyridin-2-ylbenzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-N-pyridin-4-ylbenzene-1,4-dicarboxamide

4-N-tert-butyl-2-chloro-1-N-(4-chloro-3-isoquinolin-1-ylphenyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-N-pyridin-2-ylbenzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-N-pyridin-4-ylbenzene-1,4-dicarboxamide (PubChem CID 157132908) has the molecular formula C109H80Cl8N14O8 and a molecular weight of 1997.55 g/mol. Its IUPAC name is 4-N-tert-butyl-2-chloro-1-N-(4-chloro-3-isoquinolin-1-ylphenyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-N-pyridin-2-ylbenzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-N-pyridin-4-ylbenzene-1,4-dicarboxamide.

Molecular Properties

• Compound Name: 4-N-tert-butyl-2-chloro-1-N-(4-chloro-3-isoquinolin-1-ylphenyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-N-pyridin-2-ylbenzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-N-pyridin-4-ylbenzene-1,4-dicarboxamide
• PubChem CID: 157132908
• Molecular Formula: C109H80Cl8N14O8
• Molecular Weight: 1997.55 g/mol
• Exact Mass: 1992.38
• IUPAC Name: 4-N-tert-butyl-2-chloro-1-N-(4-chloro-3-isoquinolin-1-ylphenyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-N-pyridin-2-ylbenzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-N-pyridin-4-ylbenzene-1,4-dicarboxamide
• SMILES: CC(C)(C)NC(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3nccc4ccccc34)c2)c(Cl)c1.CC(C)NC(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3nccc4ccccc34)c2)c(Cl)c1.O=C(Nc1ccccn1)c1ccc(C(=O)Nc2ccc(Cl)c(-c3nccc4ccccc34)c2)c(Cl)c1.O=C(Nc1ccncc1)c1ccc(C(=O)Nc2ccc(Cl)c(-c3nccc4ccccc34)c2)c(Cl)c1
• InChI: InChI=1S/2C28H18Cl2N4O2.C27H23Cl2N3O2.C26H21Cl2N3O2/c29-23-11-9-19(16-22(23)26-20-6-2-1-5-17(20)12-14-32-26)33-28(36)21-10-8-18(15-24(21)30)27(35)34-25-7-3-4-13-31-25;29-24-8-6-20(16-23(24)26-21-4-2-1-3-17(21)9-14-32-26)34-28(36)22-7-5-18(15-25(22)30)27(35)33-19-10-12-31-13-11-19;1-27(2,3)32-25(33)17-8-10-20(23(29)14-17)26(34)31-18-9-11-22(28)21(15-18)24-19-7-5-4-6-16(19)12-13-30-24;1-15(2)30-25(32)17-7-9-20(23(28)13-17)26(33)31-18-8-10-22(27)21(14-18)24-19-6-4-3-5-16(19)11-12-29-24/h1-16H,(H,33,36)(H,31,34,35);1-16H,(H,34,36)(H,31,33,35);4-15H,1-3H3,(H,31,34)(H,32,33);3-15H,1-2H3,(H,30,32)(H,31,33)
• InChIKey: AJGYSHRZXCJSHE-UHFFFAOYSA-N
• XLogP: 27.80
• TPSA: 310.14 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 14
• Rotatable Bonds: 19
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1997.55
LogP ≤ 5	27.80
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-2-chloro-1-N-(4-chloro-3-isoquinolin-1-ylphenyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-N-pyridin-2-ylbenzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-N-pyridin-4-ylbenzene-1,4-dicarboxamide?

The IUPAC name of 4-N-tert-butyl-2-chloro-1-N-(4-chloro-3-isoquinolin-1-ylphenyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-N-pyridin-2-ylbenzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-N-pyridin-4-ylbenzene-1,4-dicarboxamide (CID 157132908) is 4-N-tert-butyl-2-chloro-1-N-(4-chloro-3-isoquinolin-1-ylphenyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-N-pyridin-2-ylbenzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-N-pyridin-4-ylbenzene-1,4-dicarboxamide.

What is the SMILES notation for 4-N-tert-butyl-2-chloro-1-N-(4-chloro-3-isoquinolin-1-ylphenyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-N-pyridin-2-ylbenzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-N-pyridin-4-ylbenzene-1,4-dicarboxamide?

The canonical SMILES for 4-N-tert-butyl-2-chloro-1-N-(4-chloro-3-isoquinolin-1-ylphenyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-N-pyridin-2-ylbenzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-N-pyridin-4-ylbenzene-1,4-dicarboxamide is CC(C)(C)NC(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3nccc4ccccc34)c2)c(Cl)c1.CC(C)NC(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3nccc4ccccc34)c2)c(Cl)c1.O=C(Nc1ccccn1)c1ccc(C(=O)Nc2ccc(Cl)c(-c3nccc4ccccc34)c2)c(Cl)c1.O=C(Nc1ccncc1)c1ccc(C(=O)Nc2ccc(Cl)c(-c3nccc4ccccc34)c2)c(Cl)c1.

What is the InChIKey of 4-N-tert-butyl-2-chloro-1-N-(4-chloro-3-isoquinolin-1-ylphenyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-N-pyridin-2-ylbenzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-N-pyridin-4-ylbenzene-1,4-dicarboxamide?

The InChIKey is AJGYSHRZXCJSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H18Cl2N4O2.C27H23Cl2N3O2.C26H21Cl2N3O2/c29-23-11-9-19(16-22(23)26-20-6-2-1-5-17(20)12-14-32-26)33-28(36)21-10-8-18(15-24(21)30)27(35)34-25-7-3-4-13-31-25;29-24-8-6-20(16-23(24)26-21-4-2-1-3-17(21)9-14-32-26)34-28(36)22-7-5-18(15-25(22)30)27(35)33-19-10-12-31-13-11-19;1-27(2,3)32-25(33)17-8-10-20(23(29)14-17)26(34)31-18-9-11-22(28)21(15-18)24-19-7-5-4-6-16(19)12-13-30-24;1-15(2)30-25(32)17-7-9-20(23(28)13-17)26(33)31-18-8-10-22(27)21(14-18)24-19-6-4-3-5-16(19)11-12-29-24/h1-16H,(H,33,36)(H,31,34,35);1-16H,(H,34,36)(H,31,33,35);4-15H,1-3H3,(H,31,34)(H,32,33);3-15H,1-2H3,(H,30,32)(H,31,33).

What are the key properties of 4-N-tert-butyl-2-chloro-1-N-(4-chloro-3-isoquinolin-1-ylphenyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-N-pyridin-2-ylbenzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-N-pyridin-4-ylbenzene-1,4-dicarboxamide?

4-N-tert-butyl-2-chloro-1-N-(4-chloro-3-isoquinolin-1-ylphenyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-N-pyridin-2-ylbenzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-N-pyridin-4-ylbenzene-1,4-dicarboxamide has a molecular weight of 1997.55 g/mol, XLogP of 27.80, 19 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-tert-butyl-2-chloro-1-N-(4-chloro-3-isoquinolin-1-ylphenyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-N-pyridin-2-ylbenzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-N-pyridin-4-ylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 157132908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).