2-[(E)-2-(3-methylphenyl)ethenyl]quinoline

• ChemBase ID: 194449
• Molecular Formular: C18H15N
• Molecular Mass: 245.3184
• Monoisotopic Mass: 245.12044949
• SMILES: n1c2c(ccc1/C=C/c1cc(ccc1)C)cccc2
• Canonical SMILES: Cc1cccc(c1)/C=C/c1ccc2c(n1)cccc2
• InChI: InChI=1S/C18H15N/c1-14-5-4-6-15(13-14)9-11-17-12-10-16-7-2-3-8-18(16)19-17/h2-13H,1H3/b11-9+
• InChIKey: BUYDHKSWMQVBJU-PKNBQFBNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(E)-2-(3-methylphenyl)ethenyl]quinoline
• IUPAC Traditional name: 2-[(E)-2-(3-methylphenyl)ethenyl]quinoline

Database IDs

• PubChem SID: 164250359
• PubChem CID: 5930241

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.203826
• LogD (pH = 7.4): 5.2176447
• Log P: 5.217824
• Molar Refractivity: 80.0282 cm^3
• Polarizability: 32.11898 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds