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

• ChemBase ID: 475384
• Molecular Formular: C19H24N2O4
• Molecular Mass: 344.40486
• Monoisotopic Mass: 344.17360726
• SMILES: C1(C(=O)N2CCC3(OCCC3)CC2)c2c(NC(=O)C1)c(OC)ccc2
• Canonical SMILES: COc1cccc2c1NC(=O)CC2C(=O)N1CCC2(CC1)CCCO2
• InChI: InChI=1S/C19H24N2O4/c1-24-15-5-2-4-13-14(12-16(22)20-17(13)15)18(23)21-9-7-19(8-10-21)6-3-11-25-19/h2,4-5,14H,3,6-12H2,1H3,(H,20,22)
• InChIKey: GMOJRXPEXQQYPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.209497
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.5128538
• LogD (pH = 7.4): 0.5128475
• Log P: 0.5128539
• Molar Refractivity: 94.4107 cm^3
• Polarizability: 35.88268 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: 0.95
• LOG S: -2.52
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 2