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

• ChemBase ID: 287004
• Molecular Formular: C11H11ClN2
• Molecular Mass: 206.67144
• Monoisotopic Mass: 206.06107604
• SMILES: CN(C)c1ccnc2cc(Cl)ccc12
• Canonical SMILES: Clc1ccc2c(c1)nccc2N(C)C
• InChI: InChI=1S/C11H11ClN2/c1-14(2)11-5-6-13-10-7-8(12)3-4-9(10)11/h3-7H,1-2H3
• InChIKey: CNGZPOQQPLFGFN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-chloro-N,N-dimethylquinolin-4-amine
• IUPAC Traditional name: 7-chloro-N,N-dimethylquinolin-4-amine
• Synonyms: 7-Chloro-N,N-dimethylquinolin-4-amine

Database IDs

• CAS Number: 22072-07-7
• PubChem SID: 180672535
• PubChem CID: 13418271

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.6367643
• LogD (pH = 7.4): 2.624256
• Log P: 2.842989
• Molar Refractivity: 59.2127 cm^3
• Polarizability: 23.637856 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%