5-chloro-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-propan-2-yloxybenzamide;5-(2,2-dimethylpropanoyl)-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)benzamide

C44H53ClN4O6 — CID 158875405

About 5-chloro-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-propan-2-yloxybenzamide;5-(2,2-dimethylpropanoyl)-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)benzamide

5-chloro-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-propan-2-yloxybenzamide;5-(2,2-dimethylpropanoyl)-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)benzamide (PubChem CID 158875405) has the molecular formula C44H53ClN4O6 and a molecular weight of 769.38 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-propan-2-yloxybenzamide;5-(2,2-dimethylpropanoyl)-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)benzamide.

Molecular Properties

• Compound Name: 5-chloro-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-propan-2-yloxybenzamide;5-(2,2-dimethylpropanoyl)-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)benzamide
• PubChem CID: 158875405
• Molecular Formula: C44H53ClN4O6
• Molecular Weight: 769.38 g/mol
• Exact Mass: 768.37
• IUPAC Name: 5-chloro-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-propan-2-yloxybenzamide;5-(2,2-dimethylpropanoyl)-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)benzamide
• SMILES: COc1cc(OC(C)C)c(Cl)cc1C(=O)Nc1ccc2c(c1)CN(C)CC2.COc1ccc(C(=O)C(C)(C)C)cc1C(=O)Nc1cccc2c1CCN(C)C2
• InChI: InChI=1S/C23H28N2O3.C21H25ClN2O3/c1-23(2,3)21(26)15-9-10-20(28-5)18(13-15)22(27)24-19-8-6-7-16-14-25(4)12-11-17(16)19;1-13(2)27-20-11-19(26-4)17(10-18(20)22)21(25)23-16-6-5-14-7-8-24(3)12-15(14)9-16/h6-10,13H,11-12,14H2,1-5H3,(H,24,27);5-6,9-11,13H,7-8,12H2,1-4H3,(H,23,25)
• InChIKey: JCJFKKOEAKZICT-UHFFFAOYSA-N
• XLogP: 8.54
• TPSA: 109.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	769.38
LogP ≤ 5	8.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-propan-2-yloxybenzamide;5-(2,2-dimethylpropanoyl)-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)benzamide?

The IUPAC name of 5-chloro-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-propan-2-yloxybenzamide;5-(2,2-dimethylpropanoyl)-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)benzamide (CID 158875405) is 5-chloro-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-propan-2-yloxybenzamide;5-(2,2-dimethylpropanoyl)-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)benzamide.

What is the SMILES notation for 5-chloro-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-propan-2-yloxybenzamide;5-(2,2-dimethylpropanoyl)-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)benzamide?

The canonical SMILES for 5-chloro-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-propan-2-yloxybenzamide;5-(2,2-dimethylpropanoyl)-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)benzamide is COc1cc(OC(C)C)c(Cl)cc1C(=O)Nc1ccc2c(c1)CN(C)CC2.COc1ccc(C(=O)C(C)(C)C)cc1C(=O)Nc1cccc2c1CCN(C)C2.

What is the InChIKey of 5-chloro-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-propan-2-yloxybenzamide;5-(2,2-dimethylpropanoyl)-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)benzamide?

The InChIKey is JCJFKKOEAKZICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3.C21H25ClN2O3/c1-23(2,3)21(26)15-9-10-20(28-5)18(13-15)22(27)24-19-8-6-7-16-14-25(4)12-11-17(16)19;1-13(2)27-20-11-19(26-4)17(10-18(20)22)21(25)23-16-6-5-14-7-8-24(3)12-15(14)9-16/h6-10,13H,11-12,14H2,1-5H3,(H,24,27);5-6,9-11,13H,7-8,12H2,1-4H3,(H,23,25).

What are the key properties of 5-chloro-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-propan-2-yloxybenzamide;5-(2,2-dimethylpropanoyl)-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)benzamide?

5-chloro-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-propan-2-yloxybenzamide;5-(2,2-dimethylpropanoyl)-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)benzamide has a molecular weight of 769.38 g/mol, XLogP of 8.54, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-propan-2-yloxybenzamide;5-(2,2-dimethylpropanoyl)-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)benzamide is sourced from PubChem (CID 158875405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).