3-chloro-1-methylbenzo[f]quinoline

• ChemBase ID: 80254
• Molecular Formular: C14H10ClN
• Molecular Mass: 227.6889
• Monoisotopic Mass: 227.05017701
• SMILES: n1c(cc(c2c1ccc1ccccc21)C)Cl
• Canonical SMILES: Clc1cc(C)c2c(n1)ccc1c2cccc1
• InChI: InChI=1S/C14H10ClN/c1-9-8-13(15)16-12-7-6-10-4-2-3-5-11(10)14(9)12/h2-8H,1H3
• InChIKey: ODLDDNSPXICDEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-1-methylbenzo[f]quinoline
• IUPAC Traditional name: 3-chloro-1-methylbenzo[f]quinoline
• Synonyms: 3-chloro-1-methylbenzo[f]quinoline

Database IDs

• MDL Number: MFCD00829439
• PubChem SID: 162067374
• PubChem CID: 269164

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.4579997
• LogD (pH = 7.4): 4.45802
• Log P: 4.4580207
• Molar Refractivity: 67.3368 cm^3
• Polarizability: 28.272078 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true