{2-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]pyridin-4-yl}methanol

• ChemBase ID: 506509
• Molecular Formular: C21H22N2O3
• Molecular Mass: 350.41098
• Monoisotopic Mass: 350.16304257
• SMILES: N1(c2nccc(c2)CO)CC(c2cc3c(cc(cc3)OC)cc2)OCC1
• Canonical SMILES: COc1ccc2c(c1)ccc(c2)C1OCCN(C1)c1nccc(c1)CO
• InChI: InChI=1S/C21H22N2O3/c1-25-19-5-4-16-11-18(3-2-17(16)12-19)20-13-23(8-9-26-20)21-10-15(14-24)6-7-22-21/h2-7,10-12,20,24H,8-9,13-14H2,1H3
• InChIKey: FKKFVTKNDSMFTQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {2-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]pyridin-4-yl}methanol
• IUPAC Traditional name: {2-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]pyridin-4-yl}methanol
• Synonyms: {2-[2-(6-methoxy-2-naphthyl)morpholin-4-yl]pyridin-4-yl}methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.896889
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.334849
• LogD (pH = 7.4): 3.0591059
• Log P: 3.0882702
• Molar Refractivity: 101.7298 cm^3
• Polarizability: 39.971554 Å^3
• Polar Surface Area: 54.82 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.39
• LOG S: -3.8
• Polar Surface Area: 54.82 Å^2
• Rotatable Bonds: 4