4-chloro-N,N-dimethylquinolin-7-amine

• ChemBase ID: 799373
• Molecular Formular: C11H11ClN2
• Molecular Mass: 206.67144
• Monoisotopic Mass: 206.06107604
• SMILES: N(C)(C)c1cc2c(cc1)c(ccn2)Cl
• Canonical SMILES: CN(c1ccc2c(c1)nccc2Cl)C
• InChI: InChI=1S/C11H11ClN2/c1-14(2)8-3-4-9-10(12)5-6-13-11(9)7-8/h3-7H,1-2H3
• InChIKey: RSILXKGPRQLNLJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-N,N-dimethylquinolin-7-amine
• IUPAC Traditional name: 4-chloro-N,N-dimethylquinolin-7-amine
• Synonyms: (4-Chloro-quinolin-7-yl)-dimethyl-amine

Database IDs

• CAS Number: 178984-46-8

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.6449254
• LogD (pH = 7.4): 2.8397555
• Log P: 2.842989
• Molar Refractivity: 59.2127 cm^3
• Polarizability: 23.647415 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 96%