4-phenylquinolin-8-amine

• ChemBase ID: 121867
• Molecular Formular: C15H12N2
• Molecular Mass: 220.26918
• Monoisotopic Mass: 220.10004839
• SMILES: c12c(nccc1c1ccccc1)c(N)ccc2
• Canonical SMILES: Nc1cccc2c1nccc2c1ccccc1
• InChI: InChI=1S/C15H12N2/c16-14-8-4-7-13-12(9-10-17-15(13)14)11-5-2-1-3-6-11/h1-10H,16H2
• InChIKey: AFRJTZMQZYKUDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-phenylquinolin-8-amine
• IUPAC Traditional name: 4-phenylquinolin-8-amine
• Synonyms: 4-phenylquinolin-8-amine

Database IDs

• PubChem SID: 162216220
• PubChem CID: 108726

CALCULATED PROPERTIES

• Acid pKa: 19.79758
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.9336455
• LogD (pH = 7.4): 2.9490001
• Log P: 2.9492
• Molar Refractivity: 69.8159 cm^3
• Polarizability: 29.28548 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true