N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-7-fluoro-2-oxo-N-(propan-2-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide

• ChemBase ID: 631908
• Molecular Formular: C18H21FN4O3
• Molecular Mass: 360.3827432
• Monoisotopic Mass: 360.15976877
• SMILES: C(=O)(C1c2c(NC(=O)C1)cc(cc2)F)N(Cc1nnc(o1)CC)C(C)C
• Canonical SMILES: CCc1nnc(o1)CN(C(=O)C1CC(=O)Nc2c1ccc(c2)F)C(C)C
• InChI: InChI=1S/C18H21FN4O3/c1-4-16-21-22-17(26-16)9-23(10(2)3)18(25)13-8-15(24)20-14-7-11(19)5-6-12(13)14/h5-7,10,13H,4,8-9H2,1-3H3,(H,20,24)
• InChIKey: QBVMSGXGYBLDMW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-7-fluoro-2-oxo-N-(propan-2-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
• IUPAC Traditional name: N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-7-fluoro-N-isopropyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
• Synonyms: N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-7-fluoro-N-isopropyl-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.253497
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.89853764
• LogD (pH = 7.4): 0.8985371
• Log P: 0.8985377
• Molar Refractivity: 95.358 cm^3
• Polarizability: 34.819237 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: 1.65
• LOG S: -3.24
• Polar Surface Area: 88.33 Å^2
• Rotatable Bonds: 5