N-(3,4-dimethylphenyl)-3-methoxy-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide

C27H26N2O3 — CID 1419683

About N-(3,4-dimethylphenyl)-3-methoxy-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide

N-(3,4-dimethylphenyl)-3-methoxy-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide (PubChem CID 1419683) has the molecular formula C27H26N2O3 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-methoxy-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide.

Molecular Properties

• Compound Name: N-(3,4-dimethylphenyl)-3-methoxy-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
• PubChem CID: 1419683
• Molecular Formula: C27H26N2O3
• Molecular Weight: 426.52 g/mol
• Exact Mass: 426.19
• IUPAC Name: N-(3,4-dimethylphenyl)-3-methoxy-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
• SMILES: COc1cccc(C(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)c2ccc(C)c(C)c2)c1
• InChI: InChI=1S/C27H26N2O3/c1-17-8-10-20-14-22(26(30)28-25(20)12-17)16-29(23-11-9-18(2)19(3)13-23)27(31)21-6-5-7-24(15-21)32-4/h5-15H,16H2,1-4H3,(H,28,30)
• InChIKey: RKPIHDJCXJFFGQ-UHFFFAOYSA-N
• XLogP: 5.31
• TPSA: 62.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	426.52
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3-methoxy-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?

The IUPAC name of N-(3,4-dimethylphenyl)-3-methoxy-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide (CID 1419683) is N-(3,4-dimethylphenyl)-3-methoxy-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide.

What is the SMILES notation for N-(3,4-dimethylphenyl)-3-methoxy-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?

The canonical SMILES for N-(3,4-dimethylphenyl)-3-methoxy-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide is COc1cccc(C(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)c2ccc(C)c(C)c2)c1.

What is the InChIKey of N-(3,4-dimethylphenyl)-3-methoxy-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?

The InChIKey is RKPIHDJCXJFFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O3/c1-17-8-10-20-14-22(26(30)28-25(20)12-17)16-29(23-11-9-18(2)19(3)13-23)27(31)21-6-5-7-24(15-21)32-4/h5-15H,16H2,1-4H3,(H,28,30).

What are the key properties of N-(3,4-dimethylphenyl)-3-methoxy-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?

N-(3,4-dimethylphenyl)-3-methoxy-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide has a molecular weight of 426.52 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,4-dimethylphenyl)-3-methoxy-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide is sourced from PubChem (CID 1419683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).