7-[2-(4-fluorophenyl)morpholine-4-carbonyl]quinolin-8-ol

• ChemBase ID: 335519
• Molecular Formular: C20H17FN2O3
• Molecular Mass: 352.3589832
• Monoisotopic Mass: 352.12232063
• SMILES: c1(C(=O)N2CC(c3ccc(cc3)F)OCC2)c(c2ncccc2cc1)O
• Canonical SMILES: Fc1ccc(cc1)C1OCCN(C1)C(=O)c1ccc2c(c1O)nccc2
• InChI: InChI=1S/C20H17FN2O3/c21-15-6-3-13(4-7-15)17-12-23(10-11-26-17)20(25)16-8-5-14-2-1-9-22-18(14)19(16)24/h1-9,17,24H,10-12H2
• InChIKey: BXCXQWVONXEBFN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[2-(4-fluorophenyl)morpholine-4-carbonyl]quinolin-8-ol
• IUPAC Traditional name: 7-[2-(4-fluorophenyl)morpholine-4-carbonyl]quinolin-8-ol
• Synonyms: 7-{[2-(4-fluorophenyl)morpholin-4-yl]carbonyl}quinolin-8-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 7.763365
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.4763515
• LogD (pH = 7.4): 3.3279395
• Log P: 3.4837692
• Molar Refractivity: 94.4057 cm^3
• Polarizability: 36.95907 Å^3
• Polar Surface Area: 62.66 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: 2.39
• LOG S: -3.23
• Polar Surface Area: 62.66 Å^2
• Rotatable Bonds: 2