2-(6-methoxynaphthalen-2-yl)-4-(pyridin-4-yl)morpholine

• ChemBase ID: 774116
• Molecular Formular: C20H20N2O2
• Molecular Mass: 320.385
• Monoisotopic Mass: 320.15247789
• SMILES: N1(CC(c2cc3c(cc(cc3)OC)cc2)OCC1)c1ccncc1
• Canonical SMILES: COc1ccc2c(c1)ccc(c2)C1OCCN(C1)c1ccncc1
• InChI: InChI=1S/C20H20N2O2/c1-23-19-5-4-15-12-17(3-2-16(15)13-19)20-14-22(10-11-24-20)18-6-8-21-9-7-18/h2-9,12-13,20H,10-11,14H2,1H3
• InChIKey: UNRIDEONXLJPBM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(6-methoxynaphthalen-2-yl)-4-(pyridin-4-yl)morpholine
• IUPAC Traditional name: 2-(6-methoxynaphthalen-2-yl)-4-(pyridin-4-yl)morpholine
• Synonyms: 2-(6-methoxy-2-naphthyl)-4-pyridin-4-ylmorpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.2783644
• LogD (pH = 7.4): 2.4332705
• Log P: 3.2611625
• Molar Refractivity: 94.6004 cm^3
• Polarizability: 37.536983 Å^3
• Polar Surface Area: 34.59 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.5
• LOG S: -4.53
• Polar Surface Area: 34.59 Å^2
• Rotatable Bonds: 3