6-bromo-3-phenylquinolin-2-amine

• ChemBase ID: 805053
• Molecular Formular: C15H11BrN2
• Molecular Mass: 299.16524
• Monoisotopic Mass: 298.01056036
• SMILES: c1cc2c(cc1Br)cc(c(n2)N)c1ccccc1
• Canonical SMILES: Brc1ccc2c(c1)cc(c(n2)N)c1ccccc1
• InChI: InChI=1S/C15H11BrN2/c16-12-6-7-14-11(8-12)9-13(15(17)18-14)10-4-2-1-3-5-10/h1-9H,(H2,17,18)
• InChIKey: FQQWRFBLRJBVCK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-3-phenylquinolin-2-amine
• IUPAC Traditional name: 6-bromo-3-phenylquinolin-2-amine
• Synonyms: 2-AMINO-6-BROMO-3-PHENYLQUINOLINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.2215815
• LogD (pH = 7.4): 4.311136
• Log P: 4.31241
• Molar Refractivity: 77.7522 cm^3
• Polarizability: 31.663834 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%