2-[(E)-2-(2-aminophenyl)ethenyl]quinolin-8-ol

• ChemBase ID: 311659
• Molecular Formular: C17H14N2O
• Molecular Mass: 262.30586
• Monoisotopic Mass: 262.11061308
• SMILES: n1c2c(O)cccc2ccc1/C=C/c1c(N)cccc1
• Canonical SMILES: Nc1ccccc1/C=C/c1ccc2c(n1)c(O)ccc2
• InChI: InChI=1S/C17H14N2O/c18-15-6-2-1-4-12(15)8-10-14-11-9-13-5-3-7-16(20)17(13)19-14/h1-11,20H,18H2/b10-8+
• InChIKey: YOUDUYWZJMYLBJ-CSKARUKUSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(E)-2-(2-aminophenyl)ethenyl]quinolin-8-ol
• IUPAC Traditional name: 2-[(E)-2-(2-aminophenyl)ethenyl]quinolin-8-ol
• Synonyms: 2-[(E)-2-(2-aminophenyl)vinyl]quinolin-8-ol

Database IDs

• CAS Number: 429651-60-5
• MDL Number: MFCD02923372

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.5367358
• LogD (pH = 7.4): 3.5660846
• Log P: 3.5719113
• Molar Refractivity: 81.6683 cm^3
• Polarizability: 31.968668 Å^3
• Polar Surface Area: 59.14 Å^2