8-methoxy-2-{4-[(3-methoxyphenyl)methyl]piperazin-1-yl}quinoline

• ChemBase ID: 851520
• Molecular Formular: C22H25N3O2
• Molecular Mass: 363.4528
• Monoisotopic Mass: 363.19467706
• SMILES: n1c(N2CCN(Cc3cc(OC)ccc3)CC2)ccc2c1c(OC)ccc2
• Canonical SMILES: COc1cccc(c1)CN1CCN(CC1)c1ccc2c(n1)c(OC)ccc2
• InChI: InChI=1S/C22H25N3O2/c1-26-19-7-3-5-17(15-19)16-24-11-13-25(14-12-24)21-10-9-18-6-4-8-20(27-2)22(18)23-21/h3-10,15H,11-14,16H2,1-2H3
• InChIKey: ZEAWBXDTSIWKIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methoxy-2-{4-[(3-methoxyphenyl)methyl]piperazin-1-yl}quinoline
• IUPAC Traditional name: 8-methoxy-2-{4-[(3-methoxyphenyl)methyl]piperazin-1-yl}quinoline
• Synonyms: 8-methoxy-2-[4-(3-methoxybenzyl)-1-piperazinyl]quinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.0370219
• LogD (pH = 7.4): 3.699526
• Log P: 4.089652
• Molar Refractivity: 108.3105 cm^3
• Polarizability: 42.752552 Å^3
• Polar Surface Area: 37.83 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.96
• LOG S: -4.23
• Polar Surface Area: 37.83 Å^2
• Rotatable Bonds: 5