5-methoxy-2-methylquinoline

• ChemBase ID: 795990
• Molecular Formular: C11H11NO
• Molecular Mass: 173.21114
• Monoisotopic Mass: 173.08406398
• SMILES: c1cc2c(c(c1)OC)ccc(n2)C
• Canonical SMILES: COc1cccc2c1ccc(n2)C
• InChI: InChI=1S/C11H11NO/c1-8-6-7-9-10(12-8)4-3-5-11(9)13-2/h3-7H,1-2H3
• InChIKey: OQPWQOOLGQWRAL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxy-2-methylquinoline
• IUPAC Traditional name: 5-methoxy-2-methylquinoline
• Synonyms: 5-methoxy-2-methylquinoline

Database IDs

• CAS Number: 79205-04-2

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.6923708
• LogD (pH = 7.4): 2.095811
• Log P: 2.1045995
• Molar Refractivity: 51.034 cm^3
• Polarizability: 21.283499 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%