8-methoxy-2-[4-(2-methylphenoxy)piperidin-1-yl]quinoline

• ChemBase ID: 326911
• Molecular Formular: C22H24N2O2
• Molecular Mass: 348.43816
• Monoisotopic Mass: 348.18377802
• SMILES: n1c(N2CCC(Oc3c(C)cccc3)CC2)ccc2c1c(OC)ccc2
• Canonical SMILES: COc1cccc2c1nc(cc2)N1CCC(CC1)Oc1ccccc1C
• InChI: InChI=1S/C22H24N2O2/c1-16-6-3-4-8-19(16)26-18-12-14-24(15-13-18)21-11-10-17-7-5-9-20(25-2)22(17)23-21/h3-11,18H,12-15H2,1-2H3
• InChIKey: HXFPRLJDYKTMMA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methoxy-2-[4-(2-methylphenoxy)piperidin-1-yl]quinoline
• IUPAC Traditional name: 8-methoxy-2-[4-(2-methylphenoxy)piperidin-1-yl]quinoline
• Synonyms: 8-methoxy-2-[4-(2-methylphenoxy)-1-piperidinyl]quinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.8270793
• LogD (pH = 7.4): 4.8411803
• Log P: 4.8413634
• Molar Refractivity: 104.21 cm^3
• Polarizability: 41.157413 Å^3
• Polar Surface Area: 34.59 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.54
• LOG S: -4.76
• Polar Surface Area: 34.59 Å^2
• Rotatable Bonds: 4