4-chloro-6-ethoxy-2-methylquinoline

• ChemBase ID: 813215
• Molecular Formular: C12H12ClNO
• Molecular Mass: 221.68278
• Monoisotopic Mass: 221.06074169
• SMILES: c1cc2c(cc1OCC)c(cc(n2)C)Cl
• Canonical SMILES: CCOc1ccc2c(c1)c(Cl)cc(n2)C
• InChI: InChI=1S/C12H12ClNO/c1-3-15-9-4-5-12-10(7-9)11(13)6-8(2)14-12/h4-7H,3H2,1-2H3
• InChIKey: MCHJXEBEWPNTSQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-6-ethoxy-2-methylquinoline
• IUPAC Traditional name: 4-chloro-6-ethoxy-2-methylquinoline
• Synonyms: 4-CHLORO-6-ETHOXY-2-METHYLQUINOLINE

Database IDs

• CAS Number: 66735-22-6

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.0472035
• LogD (pH = 7.4): 3.0652173
• Log P: 3.065452
• Molar Refractivity: 60.5874 cm^3
• Polarizability: 24.940153 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%