N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-6-fluoro-N-(2-methoxyethyl)-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxamide

• ChemBase ID: 368609
• Molecular Formular: C19H23FN4O3
• Molecular Mass: 374.4093232
• Monoisotopic Mass: 374.17541884
• SMILES: C1(C(=O)N(Cc2cn(nc2)CC)CCOC)c2c(NC(=O)C1)ccc(c2)F
• Canonical SMILES: COCCN(C(=O)C1CC(=O)Nc2c1cc(F)cc2)Cc1cnn(c1)CC
• InChI: InChI=1S/C19H23FN4O3/c1-3-24-12-13(10-21-24)11-23(6-7-27-2)19(26)16-9-18(25)22-17-5-4-14(20)8-15(16)17/h4-5,8,10,12,16H,3,6-7,9,11H2,1-2H3,(H,22,25)
• InChIKey: IZLLUXFVUXJOJA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.933334
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.98456526
• LogD (pH = 7.4): 0.98463935
• Log P: 0.9846404
• Molar Refractivity: 111.5659 cm^3
• Polarizability: 37.164997 Å^3
• Polar Surface Area: 76.46 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.94
• LOG S: -2.73
• Polar Surface Area: 76.46 Å^2
• Rotatable Bonds: 7