benzo[f]quinoline

• ChemBase ID: 123339
• Molecular Formular: C13H9N
• Molecular Mass: 179.21726
• Monoisotopic Mass: 179.07349929
• SMILES: c12c3c(ccc1nccc2)cccc3
• Canonical SMILES: c1ccc2c(c1)ccc1c2cccn1
• InChI: InChI=1S/C13H9N/c1-2-5-11-10(4-1)7-8-13-12(11)6-3-9-14-13/h1-9H
• InChIKey: HCAUQPZEWLULFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzo[f]quinoline
• IUPAC Traditional name: benzo(F)quinoline
• Synonyms: benzo[f]quinoline

Database IDs

• PubChem SID: 162217692
• PubChem CID: 6796

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.098275
• LogD (pH = 7.4): 3.1200912
• Log P: 3.1203773
• Molar Refractivity: 56.4295 cm^3
• Polarizability: 24.76108 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true