2-chloro-7-methoxy-3-methylquinoline

• ChemBase ID: 805154
• Molecular Formular: C11H10ClNO
• Molecular Mass: 207.6562
• Monoisotopic Mass: 207.04509163
• SMILES: c1(cc2c(cc1)cc(c(n2)Cl)C)OC
• Canonical SMILES: COc1ccc2c(c1)nc(c(c2)C)Cl
• InChI: InChI=1S/C11H10ClNO/c1-7-5-8-3-4-9(14-2)6-10(8)13-11(7)12/h3-6H,1-2H3
• InChIKey: KVBVZTHTUJBHOF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-7-methoxy-3-methylquinoline
• IUPAC Traditional name: 2-chloro-7-methoxy-3-methylquinoline
• Synonyms: 2-CHLORO-7-METHOXY-3-METHYLQUINOLINE

Database IDs

• CAS Number: 132118-45-7

CALCULATED PROPERTIES

• Log P: 3.3108726
• Molar Refractivity: 57.3498 cm^3
• Polarizability: 23.148397 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.3108447
• LogD (pH = 7.4): 3.310872

PROPERTIES

Product Information

• Purity: 98%