7-methoxy-2-methylquinoline

• ChemBase ID: 805322
• Molecular Formular: C11H11NO
• Molecular Mass: 173.21114
• Monoisotopic Mass: 173.08406398
• SMILES: c1(cc2c(cc1)ccc(n2)C)OC
• Canonical SMILES: COc1ccc2c(c1)nc(cc2)C
• InChI: InChI=1S/C11H11NO/c1-8-3-4-9-5-6-10(13-2)7-11(9)12-8/h3-7H,1-2H3
• InChIKey: QEVADHKTNBIYSD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 19490-87-0

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.8090948
• LogD (pH = 7.4): 2.0992212
• Log P: 2.1045995
• Molar Refractivity: 51.034 cm^3
• Polarizability: 21.279802 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%