2-ethoxy-8-methylquinoline

• ChemBase ID: 291446
• Molecular Formular: C12H13NO
• Molecular Mass: 187.23772
• Monoisotopic Mass: 187.09971404
• SMILES: Cc1c2nc(OCC)ccc2ccc1
• Canonical SMILES: CCOc1ccc2c(n1)c(C)ccc2
• InChI: InChI=1S/C12H13NO/c1-3-14-11-8-7-10-6-4-5-9(2)12(10)13-11/h4-8H,3H2,1-2H3
• InChIKey: ATBOAPKGWCCESM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethoxy-8-methylquinoline
• IUPAC Traditional name: 2-ethoxy-8-methylquinoline
• Synonyms: 2-Ethoxy-8-methylquinoline

Database IDs

• CAS Number: 1221793-63-0
• MDL Number: MFCD16036158
• PubChem SID: 180676977
• PubChem CID: 53217394

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.437586
• LogD (pH = 7.4): 3.437912
• Log P: 3.437916
• Molar Refractivity: 56.5458 cm^3
• Polarizability: 23.132328 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%