3-methyl-3H-imidazo[4,5-f]quinoline

• ChemBase ID: 173644
• Molecular Formular: C11H9N3
• Molecular Mass: 183.20926
• Monoisotopic Mass: 183.0796473
• SMILES: c1cnc2c(c1)c1c(cc2)n(cn1)C
• Canonical SMILES: Cn1cnc2c1ccc1c2cccn1
• InChI: InChI=1S/C11H9N3/c1-14-7-13-11-8-3-2-6-12-9(8)4-5-10(11)14/h2-7H,1H3
• InChIKey: TUOBKUJFYNEIDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-3H-imidazo[4,5-f]quinoline
• IUPAC Traditional name: 3-methylimidazo[4,5-f]quinoline
• Synonyms: 3-Methyl-3H-imidazo[4,5-f]quinoline; NSC 132318; 3-Methylimidazo[4,5-f]quinoline

Database IDs

• CAS Number: 14692-41-2
• PubChem SID: 164229554
• PubChem CID: 97555

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.4695517
• LogD (pH = 7.4): 1.6380315
• Log P: 1.6408347
• Molar Refractivity: 53.7865 cm^3
• Polarizability: 23.14685 Å^3
• Polar Surface Area: 30.71 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Acidic Aqueous Solution; Chloroform
• Apperance: Light Brown Solid
• Melting Point: 184-185°C

Safety Information

• Storage Condition: -20°C Freezer