7-chloro-N-methylquinolin-4-amine

• ChemBase ID: 289035
• Molecular Formular: C10H9ClN2
• Molecular Mass: 192.64486
• Monoisotopic Mass: 192.04542598
• SMILES: CNc1ccnc2cc(Cl)ccc12
• Canonical SMILES: CNc1ccnc2c1ccc(c2)Cl
• InChI: InChI=1S/C10H9ClN2/c1-12-9-4-5-13-10-6-7(11)2-3-8(9)10/h2-6H,1H3,(H,12,13)
• InChIKey: UWTWMUXPAIGYME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 21875-67-2
• MDL Number: MFCD08706219
• PubChem SID: 180674566
• PubChem CID: 11694064

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.98058504
• LogD (pH = 7.4): 1.9545947
• Log P: 2.2077234
• Molar Refractivity: 54.9779 cm^3
• Polarizability: 21.792608 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%