2-chloro-6-methoxy-4-methylquinoline

• ChemBase ID: 815869
• Molecular Formular: C11H10ClNO
• Molecular Mass: 207.6562
• Monoisotopic Mass: 207.04509163
• SMILES: c1cc2c(cc1OC)c(cc(n2)Cl)C
• Canonical SMILES: COc1ccc2c(c1)c(C)cc(n2)Cl
• InChI: InChI=1S/C11H10ClNO/c1-7-5-11(12)13-10-4-3-8(14-2)6-9(7)10/h3-6H,1-2H3
• InChIKey: VXGIQWGIRMJJDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6-methoxy-4-methylquinoline
• IUPAC Traditional name: 2-chloro-6-methoxy-4-methylquinoline
• Synonyms: 2-CHLORO-6-METHOXY-4-METHYLQUINOLINE

Database IDs

• CAS Number: 6340-55-2

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.3108358
• LogD (pH = 7.4): 3.310872
• Log P: 3.3108726
• Molar Refractivity: 57.3498 cm^3
• Polarizability: 23.146536 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%