N-(3-isoquinolin-7-yl-4-methylphenyl)-3-methoxybenzamide

C₂₄H₂₀N₂O₂ — CID 50995788

About N-(3-isoquinolin-7-yl-4-methylphenyl)-3-methoxybenzamide

N-(3-isoquinolin-7-yl-4-methylphenyl)-3-methoxybenzamide (PubChem CID 50995788) has the molecular formula C₂₄H₂₀N₂O₂ and a molecular weight of 368.44 g/mol. Its IUPAC name is N-(3-isoquinolin-7-yl-4-methylphenyl)-3-methoxybenzamide.

Molecular Properties

• Compound Name: N-(3-isoquinolin-7-yl-4-methylphenyl)-3-methoxybenzamide
• PubChem CID: 50995788
• Molecular Formula: C₂₄H₂₀N₂O₂
• Molecular Weight: 368.44 g/mol
• Exact Mass: 368.15
• IUPAC Name: N-(3-isoquinolin-7-yl-4-methylphenyl)-3-methoxybenzamide
• SMILES: COc1cccc(C(=O)Nc2ccc(C)c(-c3ccc4ccncc4c3)c2)c1
• InChI: InChI=1S/C24H20N2O2/c1-16-6-9-21(26-24(27)19-4-3-5-22(13-19)28-2)14-23(16)18-8-7-17-10-11-25-15-20(17)12-18/h3-15H,1-2H3,(H,26,27)
• InChIKey: NFRDGZYQAHCMSK-UHFFFAOYSA-N
• XLogP: 5.47
• TPSA: 51.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	368.44
LogP ≤ 5	5.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(3-isoquinolin-7-yl-4-methylphenyl)-3-methoxybenzamide?

The IUPAC name of N-(3-isoquinolin-7-yl-4-methylphenyl)-3-methoxybenzamide (CID 50995788) is N-(3-isoquinolin-7-yl-4-methylphenyl)-3-methoxybenzamide.

What is the SMILES notation for N-(3-isoquinolin-7-yl-4-methylphenyl)-3-methoxybenzamide?

The canonical SMILES for N-(3-isoquinolin-7-yl-4-methylphenyl)-3-methoxybenzamide is COc1cccc(C(=O)Nc2ccc(C)c(-c3ccc4ccncc4c3)c2)c1.

What is the InChIKey of N-(3-isoquinolin-7-yl-4-methylphenyl)-3-methoxybenzamide?

The InChIKey is NFRDGZYQAHCMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2/c1-16-6-9-21(26-24(27)19-4-3-5-22(13-19)28-2)14-23(16)18-8-7-17-10-11-25-15-20(17)12-18/h3-15H,1-2H3,(H,26,27).

What are the key properties of N-(3-isoquinolin-7-yl-4-methylphenyl)-3-methoxybenzamide?

N-(3-isoquinolin-7-yl-4-methylphenyl)-3-methoxybenzamide has a molecular weight of 368.44 g/mol, XLogP of 5.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-isoquinolin-7-yl-4-methylphenyl)-3-methoxybenzamide is sourced from PubChem (CID 50995788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 50995788 — identifiers, structure, computed properties (public domain)

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