5,7-dichloro-2-methylquinolin-4-amine

• ChemBase ID: 806772
• Molecular Formular: C10H8Cl2N2
• Molecular Mass: 227.08992
• Monoisotopic Mass: 226.00645363
• SMILES: c1(cc2c(c(c1)Cl)c(cc(n2)C)N)Cl
• Canonical SMILES: Clc1cc(Cl)c2c(c1)nc(cc2N)C
• InChI: InChI=1S/C10H8Cl2N2/c1-5-2-8(13)10-7(12)3-6(11)4-9(10)14-5/h2-4H,1H3,(H2,13,14)
• InChIKey: WGXAEZMNZHRTNP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,7-dichloro-2-methylquinolin-4-amine
• IUPAC Traditional name: 5,7-dichloro-2-methylquinolin-4-amine
• Synonyms: 4-AMINO-5,7-DICHLORO-2-METHYLQUINOLINE

Database IDs

• CAS Number: 917562-03-9

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.034024
• LogD (pH = 7.4): 2.2800605
• Log P: 2.641434
• Molar Refractivity: 58.8808 cm^3
• Polarizability: 23.582129 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%