6-methoxy-3-({methyl[3-(oxolan-2-yl)propyl]amino}methyl)-1,2-dihydroquinolin-2-one

• ChemBase ID: 614605
• Molecular Formular: C19H26N2O3
• Molecular Mass: 330.42134
• Monoisotopic Mass: 330.1943427
• SMILES: c1(c(=O)[nH]c2c(c1)cc(cc2)OC)CN(CCCC1OCCC1)C
• Canonical SMILES: COc1ccc2c(c1)cc(c(=O)[nH]2)CN(CCCC1CCCO1)C
• InChI: InChI=1S/C19H26N2O3/c1-21(9-3-5-16-6-4-10-24-16)13-15-11-14-12-17(23-2)7-8-18(14)20-19(15)22/h7-8,11-12,16H,3-6,9-10,13H2,1-2H3,(H,20,22)
• InChIKey: LGLIWARDKNVONI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxy-3-({methyl[3-(oxolan-2-yl)propyl]amino}methyl)-1,2-dihydroquinolin-2-one
• IUPAC Traditional name: 6-methoxy-3-({methyl[3-(oxolan-2-yl)propyl]amino}methyl)-1H-quinolin-2-one
• Synonyms: 6-methoxy-3-({methyl[3-(tetrahydrofuran-2-yl)propyl]amino}methyl)quinolin-2(1H)-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.072784
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.962157
• LogD (pH = 7.4): 0.61156195
• Log P: 2.2589083
• Molar Refractivity: 97.3657 cm^3
• Polarizability: 36.730255 Å^3
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.24
• LOG S: -3.52
• Polar Surface Area: 54.56 Å^2
• Rotatable Bonds: 7