1-[(4-methoxypyridin-2-yl)methyl]-1,2-dihydroquinolin-2-one

• ChemBase ID: 693990
• Molecular Formular: C16H14N2O2
• Molecular Mass: 266.29456
• Monoisotopic Mass: 266.1055277
• SMILES: n1(c(=O)ccc2c1cccc2)Cc1nccc(c1)OC
• Canonical SMILES: COc1ccnc(c1)Cn1c(=O)ccc2c1cccc2
• InChI: InChI=1S/C16H14N2O2/c1-20-14-8-9-17-13(10-14)11-18-15-5-3-2-4-12(15)6-7-16(18)19/h2-10H,11H2,1H3
• InChIKey: IWHXKMLHNRMIAP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(4-methoxypyridin-2-yl)methyl]-1,2-dihydroquinolin-2-one
• IUPAC Traditional name: 1-[(4-methoxypyridin-2-yl)methyl]quinolin-2-one
• Synonyms: 1-[(4-methoxypyridin-2-yl)methyl]quinolin-2(1H)-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.58928
• LogD (pH = 7.4): 1.8861333
• Log P: 1.8918097
• Molar Refractivity: 76.7918 cm^3
• Polarizability: 29.198387 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.11
• LOG S: -2.94
• Polar Surface Area: 44.12 Å^2
• Rotatable Bonds: 3