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

• ChemBase ID: 583775
• Molecular Formular: C18H16N2
• Molecular Mass: 260.33304
• Monoisotopic Mass: 260.13134852
• SMILES: c1(c2cc3c(cc2)CCNC3)c2ncccc2ccc1
• Canonical SMILES: N1CCc2c(C1)cc(cc2)c1cccc2c1nccc2
• InChI: InChI=1S/C18H16N2/c1-3-14-4-2-9-20-18(14)17(5-1)15-7-6-13-8-10-19-12-16(13)11-15/h1-7,9,11,19H,8,10,12H2
• InChIKey: CWUZJMWYVIDFHS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.20919473
• LogD (pH = 7.4): 1.3916017
• Log P: 3.3763633
• Molar Refractivity: 81.6731 cm^3
• Polarizability: 34.398075 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.27
• LOG S: -2.03
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 1