6-chloro-8-methyl-3-phenylquinolin-2-amine

• ChemBase ID: 805059
• Molecular Formular: C16H13ClN2
• Molecular Mass: 268.74082
• Monoisotopic Mass: 268.07672611
• SMILES: c1c(c2c(cc1Cl)cc(c(n2)N)c1ccccc1)C
• Canonical SMILES: Clc1cc2cc(c3ccccc3)c(nc2c(c1)C)N
• InChI: InChI=1S/C16H13ClN2/c1-10-7-13(17)8-12-9-14(16(18)19-15(10)12)11-5-3-2-4-6-11/h2-9H,1H3,(H2,18,19)
• InChIKey: KSJOHZNOPOZRRA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-8-methyl-3-phenylquinolin-2-amine
• IUPAC Traditional name: 6-chloro-8-methyl-3-phenylquinolin-2-amine
• Synonyms: 2-AMINO-6-CHLORO-8-METHYL-3-PHENYLQUINOLINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.5671735
• LogD (pH = 7.4): 4.6598005
• Log P: 4.6611233
• Molar Refractivity: 79.9754 cm^3
• Polarizability: 32.759693 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%