7-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-2-methylquinoline-4-carboxamide

• ChemBase ID: 675688
• Molecular Formular: C15H17FN2O3
• Molecular Mass: 292.3054832
• Monoisotopic Mass: 292.12232063
• SMILES: c12c(c(C(=O)NCCOCCO)cc(n1)C)ccc(c2)F
• Canonical SMILES: OCCOCCNC(=O)c1cc(C)nc2c1ccc(c2)F
• InChI: InChI=1S/C15H17FN2O3/c1-10-8-13(15(20)17-4-6-21-7-5-19)12-3-2-11(16)9-14(12)18-10/h2-3,8-9,19H,4-7H2,1H3,(H,17,20)
• InChIKey: GWRHVNYGZGJRCX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-2-methylquinoline-4-carboxamide
• IUPAC Traditional name: 7-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-2-methylquinoline-4-carboxamide
• Synonyms: 7-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-2-methyl-4-quinolinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.765137
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.7409537
• LogD (pH = 7.4): 0.74219555
• Log P: 0.7422114
• Molar Refractivity: 76.0981 cm^3
• Polarizability: 29.896545 Å^3
• Polar Surface Area: 71.45 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.89
• LOG S: -2.09
• Polar Surface Area: 71.45 Å^2
• Rotatable Bonds: 6