5-fluoro-8-[4-(morpholine-4-carbonyl)pyridin-2-yl]quinoline

• ChemBase ID: 371700
• Molecular Formular: C19H16FN3O2
• Molecular Mass: 337.3476432
• Monoisotopic Mass: 337.12265499
• SMILES: c1(c2c(c(cc1)F)cccn2)c1cc(C(=O)N2CCOCC2)ccn1
• Canonical SMILES: O=C(c1ccnc(c1)c1ccc(c2c1nccc2)F)N1CCOCC1
• InChI: InChI=1S/C19H16FN3O2/c20-16-4-3-15(18-14(16)2-1-6-22-18)17-12-13(5-7-21-17)19(24)23-8-10-25-11-9-23/h1-7,12H,8-11H2
• InChIKey: PNGZRMMOCDWHGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-fluoro-8-[4-(morpholine-4-carbonyl)pyridin-2-yl]quinoline
• IUPAC Traditional name: 5-fluoro-8-[4-(morpholine-4-carbonyl)pyridin-2-yl]quinoline
• Synonyms: 5-fluoro-8-[4-(morpholin-4-ylcarbonyl)pyridin-2-yl]quinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.166094
• LogD (pH = 7.4): 2.1684673
• Log P: 2.1684976
• Molar Refractivity: 90.7493 cm^3
• Polarizability: 36.81336 Å^3
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.29
• LOG S: -2.72
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 2