6-[4-(2-methoxyethoxy)phenyl]quinoline

• ChemBase ID: 570835
• Molecular Formular: C18H17NO2
• Molecular Mass: 279.33308
• Monoisotopic Mass: 279.12592879
• SMILES: c1(cc2c(nccc2)cc1)c1ccc(cc1)OCCOC
• Canonical SMILES: COCCOc1ccc(cc1)c1ccc2c(c1)cccn2
• InChI: InChI=1S/C18H17NO2/c1-20-11-12-21-17-7-4-14(5-8-17)15-6-9-18-16(13-15)3-2-10-19-18/h2-10,13H,11-12H2,1H3
• InChIKey: MNDQVQJTTGMMRL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[4-(2-methoxyethoxy)phenyl]quinoline
• IUPAC Traditional name: 6-[4-(2-methoxyethoxy)phenyl]quinoline
• Synonyms: 6-[4-(2-methoxyethoxy)phenyl]quinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.5388541
• LogD (pH = 7.4): 3.5730238
• Log P: 3.5734792
• Molar Refractivity: 82.6222 cm^3
• Polarizability: 34.911907 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.37
• LOG S: -4.12
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 5