6,7-dimethoxyquinolin-4-ol

• ChemBase ID: 52826
• Molecular Formular: C11H11NO3
• Molecular Mass: 205.20994
• Monoisotopic Mass: 205.07389322
• SMILES: c1(c(cc2c(c1)c(ccn2)O)OC)OC
• Canonical SMILES: COc1cc2c(O)ccnc2cc1OC
• InChI: InChI=1S/C11H11NO3/c1-14-10-5-7-8(6-11(10)15-2)12-4-3-9(7)13/h3-6H,1-2H3,(H,12,13)
• InChIKey: QOGPNCUTXVZQSL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,7-dimethoxyquinolin-4-ol
• IUPAC Traditional name: 6,7-dimethoxyquinolin-4-ol
• Synonyms: 6,7-Dimethoxyquinolin-4-ol; 4-HYDROXY-6,7-DIMETHOXYQUINOLINE

Database IDs

• CAS Number: 13425-93-9
• MDL Number: MFCD07368026; MFCD09031937
• PubChem SID: 162057589
• PubChem CID: 459611

CALCULATED PROPERTIES

• Acid pKa: 10.940702
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.51034
• LogD (pH = 7.4): 1.5118483
• Log P: 1.5119926
• Molar Refractivity: 54.8866 cm^3
• Polarizability: 22.575665 Å^3
• Polar Surface Area: 51.58 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 98%