4-(3-fluoropyridin-4-yl)-7-(2-oxo-1,3-oxazolidin-3-yl)-1,2,3,4-tetrahydroquinolin-2-one

• ChemBase ID: 601062
• Molecular Formular: C17H14FN3O3
• Molecular Mass: 327.3097632
• Monoisotopic Mass: 327.10191954
• SMILES: N1(C(=O)OCC1)c1cc2c(C(c3c(F)cncc3)CC(=O)N2)cc1
• Canonical SMILES: O=C1Nc2cc(ccc2C(C1)c1ccncc1F)N1CCOC1=O
• InChI: InChI=1S/C17H14FN3O3/c18-14-9-19-4-3-11(14)13-8-16(22)20-15-7-10(1-2-12(13)15)21-5-6-24-17(21)23/h1-4,7,9,13H,5-6,8H2,(H,20,22)
• InChIKey: DYEYQYKZSFUFDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3-fluoropyridin-4-yl)-7-(2-oxo-1,3-oxazolidin-3-yl)-1,2,3,4-tetrahydroquinolin-2-one
• IUPAC Traditional name: 4-(3-fluoropyridin-4-yl)-7-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-quinolin-2-one
• Synonyms: 4-(3-fluoropyridin-4-yl)-7-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydroquinolin-2(1H)-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.496487
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.4114969
• LogD (pH = 7.4): 1.4120072
• Log P: 1.412014
• Molar Refractivity: 84.5225 cm^3
• Polarizability: 31.441767 Å^3
• Polar Surface Area: 71.53 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.89
• LOG S: -2.34
• Polar Surface Area: 71.53 Å^2
• Rotatable Bonds: 2