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

C24H20N2O2 — CID 50995788

IUPACN-(3-isoquinolin-7-yl-4-methylphenyl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(C)c(-c3ccc4ccncc4c3)c2)c1
InChIInChI=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)
InChIKeyNFRDGZYQAHCMSK-UHFFFAOYSA-N
MW368.44 g/mol
LogP5.47
Rot. Bonds4

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 NameN-(3-isoquinolin-7-yl-4-methylphenyl)-3-methoxybenzamide
PubChem CID50995788
Molecular FormulaC24H20N2O2
Molecular Weight368.44 g/mol
Exact Mass368.15
IUPAC NameN-(3-isoquinolin-7-yl-4-methylphenyl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(C)c(-c3ccc4ccncc4c3)c2)c1
InChIInChI=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)
InChIKeyNFRDGZYQAHCMSK-UHFFFAOYSA-N
XLogP5.47
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.44
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-isoquinolin-7-yl-4-methylphenyl)-3-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).