2-methylbenzo[f]quinoline

• ChemBase ID: 180470
• Molecular Formular: C14H11N
• Molecular Mass: 193.24384
• Monoisotopic Mass: 193.08914936
• SMILES: n1cc(cc2c3c(ccc12)cccc3)C
• Canonical SMILES: Cc1cnc2c(c1)c1ccccc1cc2
• InChI: InChI=1S/C14H11N/c1-10-8-13-12-5-3-2-4-11(12)6-7-14(13)15-9-10/h2-9H,1H3
• InChIKey: GDYIXQSZWGQBMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylbenzo[f]quinoline
• IUPAC Traditional name: 2-methylbenzo[f]quinoline
• Synonyms: 3-Methylbenzo-5,6-quinoline

Database IDs

• CAS Number: 85-06-3
• PubChem SID: 164236380
• PubChem CID: 170172

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.5792148
• LogD (pH = 7.4): 3.6330624
• Log P: 3.6337986
• Molar Refractivity: 61.4707 cm^3
• Polarizability: 26.512083 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true