7-methoxy-4-methylquinoline

• ChemBase ID: 296958
• Molecular Formular: C11H11NO
• Molecular Mass: 173.21114
• Monoisotopic Mass: 173.08406398
• SMILES: COc1ccc2c(ccnc2c1)C
• Canonical SMILES: COc1ccc2c(c1)nccc2C
• InChI: InChI=1S/C11H11NO/c1-8-5-6-12-11-7-9(13-2)3-4-10(8)11/h3-7H,1-2H3
• InChIKey: LVJHDVPCJRWNNZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methoxy-4-methylquinoline
• IUPAC Traditional name: 7-methoxy-4-methylquinoline
• Synonyms: 7-Methoxy-4-methylquinoline; 7-甲氧基-4-甲基喹啉

Database IDs

• CAS Number: 6238-12-6
• MDL Number: MFCD11655579
• PubChem SID: 180682489
• PubChem CID: 13685551

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.1399977
• LogD (pH = 7.4): 2.4796214
• Log P: 2.4866507
• Molar Refractivity: 51.4837 cm^3
• Polarizability: 21.278961 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Refractive Index: 1.6168

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 98%