6-methoxy-4-{1-oxa-8-azaspiro[4.5]decane-8-carbonyl}-1,2,3,4-tetrahydroquinolin-2-one

• ChemBase ID: 570536
• Molecular Formular: C19H24N2O4
• Molecular Mass: 344.40486
• Monoisotopic Mass: 344.17360726
• SMILES: C1(C(=O)N2CCC3(OCCC3)CC2)c2c(NC(=O)C1)ccc(c2)OC
• Canonical SMILES: COc1ccc2c(c1)C(CC(=O)N2)C(=O)N1CCC2(CC1)CCCO2
• InChI: InChI=1S/C19H24N2O4/c1-24-13-3-4-16-14(11-13)15(12-17(22)20-16)18(23)21-8-6-19(7-9-21)5-2-10-25-19/h3-4,11,15H,2,5-10,12H2,1H3,(H,20,22)
• InChIKey: MNHYXKKGJWUWRQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxy-4-{1-oxa-8-azaspiro[4.5]decane-8-carbonyl}-1,2,3,4-tetrahydroquinolin-2-one
• IUPAC Traditional name: 6-methoxy-4-{1-oxa-8-azaspiro[4.5]decane-8-carbonyl}-3,4-dihydro-1H-quinolin-2-one
• Synonyms: 6-methoxy-4-(1-oxa-8-azaspiro[4.5]dec-8-ylcarbonyl)-3,4-dihydro-2(1H)-quinolinone

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.224321
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.51285386
• LogD (pH = 7.4): 0.51285386
• Log P: 0.5128539
• Molar Refractivity: 94.4107 cm^3
• Polarizability: 35.88073 Å^3
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.06
• LOG S: -2.62
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 2