1-ethyl-N-{2-[(2-methylquinolin-8-yl)oxy]ethyl}-2-oxo-1,2-dihydropyridine-4-carboxamide

• ChemBase ID: 373593
• Molecular Formular: C20H21N3O3
• Molecular Mass: 351.39904
• Monoisotopic Mass: 351.15829155
• SMILES: c1(=O)cc(C(=O)NCCOc2c3nc(ccc3ccc2)C)ccn1CC
• Canonical SMILES: CCn1ccc(cc1=O)C(=O)NCCOc1cccc2c1nc(C)cc2
• InChI: InChI=1S/C20H21N3O3/c1-3-23-11-9-16(13-18(23)24)20(25)21-10-12-26-17-6-4-5-15-8-7-14(2)22-19(15)17/h4-9,11,13H,3,10,12H2,1-2H3,(H,21,25)
• InChIKey: CWJJMNNALDAGPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-N-{2-[(2-methylquinolin-8-yl)oxy]ethyl}-2-oxo-1,2-dihydropyridine-4-carboxamide
• IUPAC Traditional name: 1-ethyl-N-{2-[(2-methylquinolin-8-yl)oxy]ethyl}-2-oxopyridine-4-carboxamide
• Synonyms: 1-ethyl-N-{2-[(2-methylquinolin-8-yl)oxy]ethyl}-2-oxo-1,2-dihydropyridine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.363745
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.3783053
• LogD (pH = 7.4): 1.3821583
• Log P: 1.3822076
• Molar Refractivity: 99.4737 cm^3
• Polarizability: 39.006577 Å^3
• Polar Surface Area: 71.53 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.2
• LOG S: -2.79
• Polar Surface Area: 73.22 Å^2
• Rotatable Bonds: 6