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

• ChemBase ID: 684838
• Molecular Formular: C15H15FN4O2S
• Molecular Mass: 334.3686032
• Monoisotopic Mass: 334.08997496
• SMILES: c12C(C(=O)NCCc3nnc(s3)C)CC(=O)Nc1ccc(c2)F
• Canonical SMILES: O=C1Nc2ccc(cc2C(C1)C(=O)NCCc1nnc(s1)C)F
• InChI: InChI=1S/C15H15FN4O2S/c1-8-19-20-14(23-8)4-5-17-15(22)11-7-13(21)18-12-3-2-9(16)6-10(11)12/h2-3,6,11H,4-5,7H2,1H3,(H,17,22)(H,18,21)
• InChIKey: OUZNFEOYMQOCPG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.67765
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.23155889
• LogD (pH = 7.4): 0.23156163
• Log P: 0.23156187
• Molar Refractivity: 85.772 cm^3
• Polarizability: 31.137043 Å^3
• Polar Surface Area: 83.98 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.16
• LOG S: -3.08
• Polar Surface Area: 83.98 Å^2
• Rotatable Bonds: 4