8-methoxy-5-(1,2,3,4-tetrahydroisoquinolin-7-yl)quinoline

• ChemBase ID: 485032
• Molecular Formular: C19H18N2O
• Molecular Mass: 290.35902
• Monoisotopic Mass: 290.14191321
• SMILES: c1(c2c(nccc2)c(cc1)OC)c1cc2c(cc1)CCNC2
• Canonical SMILES: COc1ccc(c2c1nccc2)c1ccc2c(c1)CNCC2
• InChI: InChI=1S/C19H18N2O/c1-22-18-7-6-16(17-3-2-9-21-19(17)18)14-5-4-13-8-10-20-12-15(13)11-14/h2-7,9,11,20H,8,10,12H2,1H3
• InChIKey: DOXGCVRBKBXHLM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methoxy-5-(1,2,3,4-tetrahydroisoquinolin-7-yl)quinoline
• IUPAC Traditional name: 8-methoxy-5-(1,2,3,4-tetrahydroisoquinolin-7-yl)quinoline
• Synonyms: 8-methoxy-5-(1,2,3,4-tetrahydroisoquinolin-7-yl)quinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.05837531
• LogD (pH = 7.4): 1.2181458
• Log P: 3.2186918
• Molar Refractivity: 88.1363 cm^3
• Polarizability: 36.82413 Å^3
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.68
• LOG S: -2.6
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 2