2-(3-hydroxyphenyl)-N-[(6-methylquinolin-5-yl)methyl]acetamide

• ChemBase ID: 358615
• Molecular Formular: C19H18N2O2
• Molecular Mass: 306.35842
• Monoisotopic Mass: 306.13682783
• SMILES: c1(c2c(nccc2)ccc1C)CNC(=O)Cc1cc(O)ccc1
• Canonical SMILES: O=C(Cc1cccc(c1)O)NCc1c(C)ccc2c1cccn2
• InChI: InChI=1S/C19H18N2O2/c1-13-7-8-18-16(6-3-9-20-18)17(13)12-21-19(23)11-14-4-2-5-15(22)10-14/h2-10,22H,11-12H2,1H3,(H,21,23)
• InChIKey: DLGGTHCZDWGYRV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-hydroxyphenyl)-N-[(6-methylquinolin-5-yl)methyl]acetamide
• IUPAC Traditional name: 2-(3-hydroxyphenyl)-N-[(6-methylquinolin-5-yl)methyl]acetamide
• Synonyms: 2-(3-hydroxyphenyl)-N-[(6-methylquinolin-5-yl)methyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.4380865
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.0919878
• LogD (pH = 7.4): 3.115414
• Log P: 3.1197114
• Molar Refractivity: 89.6405 cm^3
• Polarizability: 35.661884 Å^3
• Polar Surface Area: 62.22 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.95
• LOG S: -2.52
• Polar Surface Area: 62.22 Å^2
• Rotatable Bonds: 4