1-ethyl-6-methoxyquinolin-1-ium iodide

• ChemBase ID: 158527
• Molecular Formular: C12H14INO
• Molecular Mass: 315.15013
• Monoisotopic Mass: 315.01201207
• SMILES: CC[n+]1cccc2c1ccc(c2)OC.[I-]
• Canonical SMILES: COc1ccc2c(c1)ccc[n+]2CC.[I-]
• InChI: InChI=1S/C12H14NO.HI/c1-3-13-8-4-5-10-9-11(14-2)6-7-12(10)13;/h4-9H,3H2,1-2H3;1H/q+1;/p-1
• InChIKey: YATPLOKNKMKYFV-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-6-methoxyquinolin-1-ium iodide
• IUPAC Traditional name: 1-ethyl-6-methoxyquinolin-1-ium iodide
• Synonyms: 6-Methoxy-N-ethylquinolinium iodide; MEQ

Database IDs

• MDL Number: MFCD00467563
• PubChem SID: 162252663
• PubChem CID: 2826948

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -1.9697804
• LogD (pH = 7.4): -1.9697804
• Log P: -1.9697804
• Molar Refractivity: 57.596 cm^3
• Polarizability: 23.376307 Å^3
• Polar Surface Area: 13.11 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Empirical Formula (Hill Notation): C12H14INO

DETAILS

Sigma Aldrich - M0189

Application
Used to monitor changes in chloride in brain slices and measure GABAA receptor activity.
Other Notes
A cell membrane impermeable chloride indicator.