7,8-dichloro-2-methylquinolin-4-amine

• ChemBase ID: 806771
• Molecular Formular: C10H8Cl2N2
• Molecular Mass: 227.08992
• Monoisotopic Mass: 226.00645363
• SMILES: c1(c(c2c(cc1)c(cc(n2)C)N)Cl)Cl
• Canonical SMILES: Cc1cc(N)c2c(n1)c(Cl)c(cc2)Cl
• InChI: InChI=1S/C10H8Cl2N2/c1-5-4-8(13)6-2-3-7(11)9(12)10(6)14-5/h2-4H,1H3,(H2,13,14)
• InChIKey: YOXFYSBUBIJKKS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7,8-dichloro-2-methylquinolin-4-amine
• IUPAC Traditional name: 7,8-dichloro-2-methylquinolin-4-amine
• Synonyms: 4-AMINO-7,8-DICHLORO-2-METHYLQUINOLINE

Database IDs

• CAS Number: 917562-02-8

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5168452
• LogD (pH = 7.4): 2.565117
• Log P: 2.641434
• Molar Refractivity: 58.8808 cm^3
• Polarizability: 23.621325 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%