6-methoxy-2-methylquinazolin-4-ol

• ChemBase ID: 243617
• Molecular Formular: C10H10N2O2
• Molecular Mass: 190.1986
• Monoisotopic Mass: 190.07422757
• SMILES: c12c(nc(nc1ccc(c2)OC)C)O
• Canonical SMILES: COc1ccc2c(c1)c(O)nc(n2)C
• InChI: InChI=1S/C10H10N2O2/c1-6-11-9-4-3-7(14-2)5-8(9)10(13)12-6/h3-5H,1-2H3,(H,11,12,13)
• InChIKey: JOGHWTUPCJOYMF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxy-2-methylquinazolin-4-ol
• IUPAC Traditional name: 6-methoxy-2-methylquinazolin-4-ol
• Synonyms: 6-methoxy-2-methylquinazolin-4-ol

Database IDs

• CAS Number: 51413-71-9
• MDL Number: MFCD00513481
• PubChem SID: 164299527
• PubChem CID: 654923

CALCULATED PROPERTIES

• Acid pKa: 13.082072
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.0935233
• LogD (pH = 7.4): 2.093545
• Log P: 2.0935462
• Molar Refractivity: 52.1825 cm^3
• Polarizability: 20.935638 Å^3
• Polar Surface Area: 55.24 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.588

Product Information

• Purity: 95%; 98%