N-(6-methoxyquinolin-8-yl)-2-oxo-1,3-dioxa-8-azaspiro[4.5]decane-8-carboxamide

• ChemBase ID: 835070
• Molecular Formular: C18H19N3O5
• Molecular Mass: 357.36056
• Monoisotopic Mass: 357.13247072
• SMILES: C(=O)(N1CCC2(OC(=O)OC2)CC1)Nc1c2c(cc(c1)OC)cccn2
• Canonical SMILES: COc1cc(NC(=O)N2CCC3(CC2)COC(=O)O3)c2c(c1)cccn2
• InChI: InChI=1S/C18H19N3O5/c1-24-13-9-12-3-2-6-19-15(12)14(10-13)20-16(22)21-7-4-18(5-8-21)11-25-17(23)26-18/h2-3,6,9-10H,4-5,7-8,11H2,1H3,(H,20,22)
• InChIKey: OIQXSFBGMJXNMZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(6-methoxyquinolin-8-yl)-2-oxo-1,3-dioxa-8-azaspiro[4.5]decane-8-carboxamide
• IUPAC Traditional name: N-(6-methoxyquinolin-8-yl)-2-oxo-1,3-dioxa-8-azaspiro[4.5]decane-8-carboxamide
• Synonyms: N-(6-methoxyquinolin-8-yl)-2-oxo-1,3-dioxa-8-azaspiro[4.5]decane-8-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.562225
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.4510465
• LogD (pH = 7.4): 1.4553816
• Log P: 1.455466
• Molar Refractivity: 92.1956 cm^3
• Polarizability: 36.557907 Å^3
• Polar Surface Area: 89.99 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 2.23
• LOG S: -3.71
• Polar Surface Area: 89.99 Å^2
• Rotatable Bonds: 2