7-chloro-3-phenylquinolin-2-amine

• ChemBase ID: 816085
• Molecular Formular: C15H11ClN2
• Molecular Mass: 254.71424
• Monoisotopic Mass: 254.06107604
• SMILES: c1(cc2c(cc1)cc(c(n2)N)c1ccccc1)Cl
• Canonical SMILES: Clc1ccc2c(c1)nc(c(c2)c1ccccc1)N
• InChI: InChI=1S/C15H11ClN2/c16-12-7-6-11-8-13(10-4-2-1-3-5-10)15(17)18-14(11)9-12/h1-9H,(H2,17,18)
• InChIKey: DDORJNTZBMGKDF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-chloro-3-phenylquinolin-2-amine
• IUPAC Traditional name: 7-chloro-3-phenylquinolin-2-amine
• Synonyms: 2-AMINO-7-CHLORO-3-PHENYLQUINOLINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.0488634
• LogD (pH = 7.4): 4.1463017
• Log P: 4.147702
• Molar Refractivity: 74.9342 cm^3
• Polarizability: 30.998388 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%