N-(3,4-dimethylphenyl)-3-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide

C27H26N2O2 — CID 1392960

About N-(3,4-dimethylphenyl)-3-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide

N-(3,4-dimethylphenyl)-3-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide (PubChem CID 1392960) has the molecular formula C27H26N2O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide.

Molecular Properties

• Compound Name: N-(3,4-dimethylphenyl)-3-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
• PubChem CID: 1392960
• Molecular Formula: C27H26N2O2
• Molecular Weight: 410.52 g/mol
• Exact Mass: 410.20
• IUPAC Name: N-(3,4-dimethylphenyl)-3-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
• SMILES: Cc1cccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)c2ccc(C)c(C)c2)c1
• InChI: InChI=1S/C27H26N2O2/c1-17-6-5-7-21(12-17)27(31)29(24-10-9-19(3)20(4)14-24)16-23-15-22-13-18(2)8-11-25(22)28-26(23)30/h5-15H,16H2,1-4H3,(H,28,30)
• InChIKey: BSAAMINCAIFBTJ-UHFFFAOYSA-N
• XLogP: 5.61
• TPSA: 53.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	410.52
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?

The IUPAC name of N-(3,4-dimethylphenyl)-3-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide (CID 1392960) is N-(3,4-dimethylphenyl)-3-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide.

What is the SMILES notation for N-(3,4-dimethylphenyl)-3-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?

The canonical SMILES for N-(3,4-dimethylphenyl)-3-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide is Cc1cccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)c2ccc(C)c(C)c2)c1.

What is the InChIKey of N-(3,4-dimethylphenyl)-3-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?

The InChIKey is BSAAMINCAIFBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O2/c1-17-6-5-7-21(12-17)27(31)29(24-10-9-19(3)20(4)14-24)16-23-15-22-13-18(2)8-11-25(22)28-26(23)30/h5-15H,16H2,1-4H3,(H,28,30).

What are the key properties of N-(3,4-dimethylphenyl)-3-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?

N-(3,4-dimethylphenyl)-3-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide has a molecular weight of 410.52 g/mol, XLogP of 5.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,4-dimethylphenyl)-3-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide is sourced from PubChem (CID 1392960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).