4-chloro-7-methoxy-2-methylquinoline

• ChemBase ID: 805202
• Molecular Formular: C11H10ClNO
• Molecular Mass: 207.6562
• Monoisotopic Mass: 207.04509163
• SMILES: c1(cc2c(cc1)c(cc(n2)C)Cl)OC
• Canonical SMILES: COc1ccc2c(c1)nc(cc2Cl)C
• InChI: InChI=1S/C11H10ClNO/c1-7-5-10(12)9-4-3-8(14-2)6-11(9)13-7/h3-6H,1-2H3
• InChIKey: AAEHSBUWUZTZJG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-7-methoxy-2-methylquinoline
• IUPAC Traditional name: 4-chloro-7-methoxy-2-methylquinoline
• Synonyms: 4-CHLORO-7-METHOXY-2-METHYLQUINOLINE

Database IDs

• CAS Number: 75896-68-3

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.6710305
• LogD (pH = 7.4): 2.708149
• Log P: 2.7086442
• Molar Refractivity: 55.8388 cm^3
• Polarizability: 23.097298 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%