8-[2-(4-fluorophenyl)morpholine-4-carbonyl]-1,2,3,4-tetrahydroquinoline

• ChemBase ID: 825157
• Molecular Formular: C20H21FN2O2
• Molecular Mass: 340.3913432
• Monoisotopic Mass: 340.15870614
• SMILES: C(=O)(c1c2NCCCc2ccc1)N1CC(c2ccc(cc2)F)OCC1
• Canonical SMILES: Fc1ccc(cc1)C1OCCN(C1)C(=O)c1cccc2c1NCCC2
• InChI: InChI=1S/C20H21FN2O2/c21-16-8-6-14(7-9-16)18-13-23(11-12-25-18)20(24)17-5-1-3-15-4-2-10-22-19(15)17/h1,3,5-9,18,22H,2,4,10-13H2
• InChIKey: MGUXPRGHEAEACF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[2-(4-fluorophenyl)morpholine-4-carbonyl]-1,2,3,4-tetrahydroquinoline
• IUPAC Traditional name: 8-[2-(4-fluorophenyl)morpholine-4-carbonyl]-1,2,3,4-tetrahydroquinoline
• Synonyms: 8-{[2-(4-fluorophenyl)morpholin-4-yl]carbonyl}-1,2,3,4-tetrahydroquinoline

CALCULATED PROPERTIES

JChem

• Acid pKa: 19.346363
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.5855117
• LogD (pH = 7.4): 3.5868976
• Log P: 3.5869153
• Molar Refractivity: 96.6079 cm^3
• Polarizability: 35.60251 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.19
• LOG S: -4.41
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 2