6-fluoro-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxamide

• ChemBase ID: 729555
• Molecular Formular: C15H15FN4O3
• Molecular Mass: 318.3030032
• Monoisotopic Mass: 318.11281858
• SMILES: C1(C(=O)N(Cc2nc(on2)C)C)c2c(NC(=O)C1)ccc(c2)F
• Canonical SMILES: O=C1Nc2ccc(cc2C(C1)C(=O)N(Cc1noc(n1)C)C)F
• InChI: InChI=1S/C15H15FN4O3/c1-8-17-13(19-23-8)7-20(2)15(22)11-6-14(21)18-12-4-3-9(16)5-10(11)12/h3-5,11H,6-7H2,1-2H3,(H,18,21)
• InChIKey: RJEJHCWIZFXRMF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.933336
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.8749994
• LogD (pH = 7.4): 0.8749993
• Log P: 0.8749994
• Molar Refractivity: 81.4379 cm^3
• Polarizability: 29.353577 Å^3
• Polar Surface Area: 88.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.09
• LOG S: -2.91
• Polar Surface Area: 88.33 Å^2
• Rotatable Bonds: 3