N-[6-fluoro-2-oxo-4-(4-oxo-4H-chromen-3-yl)-1,2,3,4-tetrahydroquinolin-7-yl]-2-methylpropanamide

• ChemBase ID: 721334
• Molecular Formular: C22H19FN2O4
• Molecular Mass: 394.3956632
• Monoisotopic Mass: 394.13288532
• SMILES: c1(C2c3c(NC(=O)C2)cc(NC(=O)C(C)C)c(c3)F)c(=O)c2c(oc1)cccc2
• Canonical SMILES: O=C1Nc2cc(NC(=O)C(C)C)c(cc2C(C1)c1coc2c(c1=O)cccc2)F
• InChI: InChI=1S/C22H19FN2O4/c1-11(2)22(28)25-18-9-17-14(7-16(18)23)13(8-20(26)24-17)15-10-29-19-6-4-3-5-12(19)21(15)27/h3-7,9-11,13H,8H2,1-2H3,(H,24,26)(H,25,28)
• InChIKey: SKKYHMGXXWNXQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[6-fluoro-2-oxo-4-(4-oxo-4H-chromen-3-yl)-1,2,3,4-tetrahydroquinolin-7-yl]-2-methylpropanamide
• IUPAC Traditional name: N-[6-fluoro-2-oxo-4-(4-oxochromen-3-yl)-3,4-dihydro-1H-quinolin-7-yl]-2-methylpropanamide
• Synonyms: N-[6-fluoro-2-oxo-4-(4-oxo-4H-chromen-3-yl)-1,2,3,4-tetrahydroquinolin-7-yl]-2-methylpropanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.746144
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 3.13974
• LogD (pH = 7.4): 3.1397216
• Log P: 3.1397402
• Molar Refractivity: 107.6563 cm^3
• Polarizability: 39.462135 Å^3
• Polar Surface Area: 84.5 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.83
• LOG S: -3.64
• Polar Surface Area: 88.41 Å^2
• Rotatable Bonds: 3