6-methoxy-4-{6-oxa-9-azaspiro[4.5]decane-9-carbonyl}-1,2,3,4-tetrahydroquinolin-2-one

• ChemBase ID: 849646
• Molecular Formular: C19H24N2O4
• Molecular Mass: 344.40486
• Monoisotopic Mass: 344.17360726
• SMILES: C(=O)(C1c2c(NC(=O)C1)ccc(c2)OC)N1CC2(OCC1)CCCC2
• Canonical SMILES: COc1ccc2c(c1)C(CC(=O)N2)C(=O)N1CCOC2(C1)CCCC2
• InChI: InChI=1S/C19H24N2O4/c1-24-13-4-5-16-14(10-13)15(11-17(22)20-16)18(23)21-8-9-25-19(12-21)6-2-3-7-19/h4-5,10,15H,2-3,6-9,11-12H2,1H3,(H,20,22)
• InChIKey: LCXFTOLOHQTJSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxy-4-{6-oxa-9-azaspiro[4.5]decane-9-carbonyl}-1,2,3,4-tetrahydroquinolin-2-one
• IUPAC Traditional name: 6-methoxy-4-{6-oxa-9-azaspiro[4.5]decane-9-carbonyl}-3,4-dihydro-1H-quinolin-2-one
• Synonyms: 6-methoxy-4-(6-oxa-9-azaspiro[4.5]dec-9-ylcarbonyl)-3,4-dihydro-2(1H)-quinolinone

CALCULATED PROPERTIES

JChem

• LogD (pH = 5.5): 1.2820717
• LogD (pH = 7.4): 1.2820717
• Log P: 1.2820717
• Molar Refractivity: 93.8819 cm^3
• Polarizability: 35.88073 Å^3
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 14.224321
• H Acceptors: 4
• H Donor: 1

供应商提供(Chembridge)

• Log P: 1.9
• LOG S: -3.33
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 2
• H Acceptors: 4
• H Donor: 1