4-{2-azaspiro[4.4]nonane-2-carbonyl}-6-methoxy-1,2,3,4-tetrahydroquinolin-2-one

• ChemBase ID: 520029
• Molecular Formular: C19H24N2O3
• Molecular Mass: 328.40546
• Monoisotopic Mass: 328.17869264
• SMILES: C(=O)(N1CC2(CC1)CCCC2)C1c2c(NC(=O)C1)ccc(c2)OC
• Canonical SMILES: COc1ccc2c(c1)C(CC(=O)N2)C(=O)N1CCC2(C1)CCCC2
• InChI: InChI=1S/C19H24N2O3/c1-24-13-4-5-16-14(10-13)15(11-17(22)20-16)18(23)21-9-8-19(12-21)6-2-3-7-19/h4-5,10,15H,2-3,6-9,11-12H2,1H3,(H,20,22)
• InChIKey: CUTFNMPXQWACQS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{2-azaspiro[4.4]nonane-2-carbonyl}-6-methoxy-1,2,3,4-tetrahydroquinolin-2-one
• IUPAC Traditional name: 4-{2-azaspiro[4.4]nonane-2-carbonyl}-6-methoxy-3,4-dihydro-1H-quinolin-2-one
• Synonyms: 4-(2-azaspiro[4.4]non-2-ylcarbonyl)-6-methoxy-3,4-dihydro-2(1H)-quinolinone

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.224321
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.7962841
• LogD (pH = 7.4): 1.7962841
• Log P: 1.7962842
• Molar Refractivity: 92.3151 cm^3
• Polarizability: 35.1673 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.39
• LOG S: -3.64
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 2