N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-6-methyl-2-oxo-1,2-dihydroquinoline-4-carboxamide

• ChemBase ID: 632014
• Molecular Formular: C20H22N4O3
• Molecular Mass: 366.41368
• Monoisotopic Mass: 366.16919058
• SMILES: c1(C(=O)N(Cc2nc(on2)C2CCC2)CC)c2c([nH]c(=O)c1)ccc(c2)C
• Canonical SMILES: CCN(C(=O)c1cc(=O)[nH]c2c1cc(C)cc2)Cc1noc(n1)C1CCC1
• InChI: InChI=1S/C20H22N4O3/c1-3-24(11-17-22-19(27-23-17)13-5-4-6-13)20(26)15-10-18(25)21-16-8-7-12(2)9-14(15)16/h7-10,13H,3-6,11H2,1-2H3,(H,21,25)
• InChIKey: WGWUWODRQOACQH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-6-methyl-2-oxo-1,2-dihydroquinoline-4-carboxamide
• IUPAC Traditional name: N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-6-methyl-2-oxo-1H-quinoline-4-carboxamide
• Synonyms: N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-6-methyl-2-oxo-1,2-dihydroquinoline-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.629063
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.1910315
• LogD (pH = 7.4): 3.1910317
• Log P: 3.191032
• Molar Refractivity: 103.8641 cm^3
• Polarizability: 37.774826 Å^3
• Polar Surface Area: 88.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.61
• LOG S: -3.25
• Polar Surface Area: 92.09 Å^2
• Rotatable Bonds: 5