N-[2-methoxy-4-(8-methylquinolin-5-yl)phenyl]acetamide

• ChemBase ID: 866119
• Molecular Formular: C19H18N2O2
• Molecular Mass: 306.35842
• Monoisotopic Mass: 306.13682783
• SMILES: c1(c2c(nccc2)c(cc1)C)c1cc(c(NC(=O)C)cc1)OC
• Canonical SMILES: COc1cc(ccc1NC(=O)C)c1ccc(c2c1cccn2)C
• InChI: InChI=1S/C19H18N2O2/c1-12-6-8-15(16-5-4-10-20-19(12)16)14-7-9-17(21-13(2)22)18(11-14)23-3/h4-11H,1-3H3,(H,21,22)
• InChIKey: HSOQNVYDUXLXNW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-methoxy-4-(8-methylquinolin-5-yl)phenyl]acetamide
• IUPAC Traditional name: N-[2-methoxy-4-(8-methylquinolin-5-yl)phenyl]acetamide
• Synonyms: N-[2-methoxy-4-(8-methylquinolin-5-yl)phenyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.575614
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.3386483
• LogD (pH = 7.4): 3.3711514
• Log P: 3.3715863
• Molar Refractivity: 91.4829 cm^3
• Polarizability: 37.137974 Å^3
• Polar Surface Area: 51.22 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.92
• LOG S: -3.93
• Polar Surface Area: 51.22 Å^2
• Rotatable Bonds: 3