2-[2-(4-fluorophenyl)morpholine-4-carbonyl]-1,8-naphthyridine

• ChemBase ID: 851896
• Molecular Formular: C19H16FN3O2
• Molecular Mass: 337.3476432
• Monoisotopic Mass: 337.12265499
• SMILES: N1(C(=O)c2nc3ncccc3cc2)CC(c2ccc(cc2)F)OCC1
• Canonical SMILES: Fc1ccc(cc1)C1OCCN(C1)C(=O)c1ccc2c(n1)nccc2
• InChI: InChI=1S/C19H16FN3O2/c20-15-6-3-13(4-7-15)17-12-23(10-11-25-17)19(24)16-8-5-14-2-1-9-21-18(14)22-16/h1-9,17H,10-12H2
• InChIKey: DAZWKWQBTVUXFZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(4-fluorophenyl)morpholine-4-carbonyl]-1,8-naphthyridine
• IUPAC Traditional name: 2-[2-(4-fluorophenyl)morpholine-4-carbonyl]-1,8-naphthyridine
• Synonyms: 2-{[2-(4-fluorophenyl)morpholin-4-yl]carbonyl}-1,8-naphthyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.6305149
• LogD (pH = 7.4): 2.630517
• Log P: 2.630517
• Molar Refractivity: 91.4687 cm^3
• Polarizability: 34.798874 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: 1.11
• LOG S: -2.61
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 2