6-methoxy-1,1,2,2,4-pentamethyl-1,2-dihydroquinolin-1-ium iodide

• ChemBase ID: 181629
• Molecular Formular: C15H22INO
• Molecular Mass: 359.24575
• Monoisotopic Mass: 359.07461233
• SMILES: [N+]1(c2c(C(=CC1(C)C)C)cc(cc2)OC)(C)C.[I-]
• Canonical SMILES: COc1ccc2c(c1)C(=CC([N+]2(C)C)(C)C)C.[I-]
• InChI: InChI=1S/C15H22NO.HI/c1-11-10-15(2,3)16(4,5)14-8-7-12(17-6)9-13(11)14;/h7-10H,1-6H3;1H/q+1;/p-1
• InChIKey: NRLSKCCYVCSEJE-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxy-1,1,2,2,4-pentamethyl-1,2-dihydroquinolin-1-ium iodide
• IUPAC Traditional name: 6-methoxy-1,1,2,2,4-pentamethylquinolin-1-ium iodide

Database IDs

• PubChem SID: 164237539
• PubChem CID: 44659859

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.76703197
• LogD (pH = 7.4): -0.76703197
• Log P: -0.76703197
• Molar Refractivity: 84.3547 cm^3
• Polarizability: 28.145082 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: I-
• Classification: Derivatives & analogs of Natural Compounds