N-(8-methylquinolin-5-yl)-2-oxo-1-oxa-3,8-diazaspiro[4.6]undecane-8-carboxamide

• ChemBase ID: 849380
• Molecular Formular: C19H22N4O3
• Molecular Mass: 354.40298
• Monoisotopic Mass: 354.16919058
• SMILES: C(=O)(Nc1c2c(nccc2)c(cc1)C)N1CCC2(OC(=O)NC2)CCC1
• Canonical SMILES: O=C1NCC2(O1)CCCN(CC2)C(=O)Nc1ccc(c2c1cccn2)C
• InChI: InChI=1S/C19H22N4O3/c1-13-5-6-15(14-4-2-9-20-16(13)14)22-17(24)23-10-3-7-19(8-11-23)12-21-18(25)26-19/h2,4-6,9H,3,7-8,10-12H2,1H3,(H,21,25)(H,22,24)
• InChIKey: FFCMYKJGXIZTIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(8-methylquinolin-5-yl)-2-oxo-1-oxa-3,8-diazaspiro[4.6]undecane-8-carboxamide
• IUPAC Traditional name: N-(8-methylquinolin-5-yl)-2-oxo-1-oxa-3,8-diazaspiro[4.6]undecane-8-carboxamide
• Synonyms: N-(8-methylquinolin-5-yl)-2-oxo-1-oxa-3,8-diazaspiro[4.6]undecane-8-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.642357
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.8931142
• LogD (pH = 7.4): 1.9144785
• Log P: 1.9147608
• Molar Refractivity: 97.368 cm^3
• Polarizability: 38.05859 Å^3
• Polar Surface Area: 83.56 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.39
• LOG S: -2.97
• Polar Surface Area: 83.56 Å^2
• Rotatable Bonds: 1