N-(6-methoxyquinolin-8-yl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide

• ChemBase ID: 616014
• Molecular Formular: C19H23N3O3
• Molecular Mass: 341.40422
• Monoisotopic Mass: 341.17394161
• SMILES: C(=O)(N1CC2(OCC1)CCCC2)Nc1c2c(cc(c1)OC)cccn2
• Canonical SMILES: COc1cc(NC(=O)N2CCOC3(C2)CCCC3)c2c(c1)cccn2
• InChI: InChI=1S/C19H23N3O3/c1-24-15-11-14-5-4-8-20-17(14)16(12-15)21-18(23)22-9-10-25-19(13-22)6-2-3-7-19/h4-5,8,11-12H,2-3,6-7,9-10,13H2,1H3,(H,21,23)
• InChIKey: DWECMIMHMZXIPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(6-methoxyquinolin-8-yl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
• IUPAC Traditional name: N-(6-methoxyquinolin-8-yl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
• Synonyms: N-(6-methoxyquinolin-8-yl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.542945
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.380297
• LogD (pH = 7.4): 2.3846307
• Log P: 2.3847163
• Molar Refractivity: 95.1529 cm^3
• Polarizability: 37.599304 Å^3
• Polar Surface Area: 63.69 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: 3.47
• LOG S: -4.65
• Polar Surface Area: 63.69 Å^2
• Rotatable Bonds: 2