6,7-dimethoxy-2-methylquinazolin-4-ol

• ChemBase ID: 287867
• Molecular Formular: C11H12N2O3
• Molecular Mass: 220.22458
• Monoisotopic Mass: 220.08479225
• SMILES: Oc1c2cc(OC)c(OC)cc2nc(C)n1
• Canonical SMILES: COc1cc2nc(C)nc(c2cc1OC)O
• InChI: InChI=1S/C11H12N2O3/c1-6-12-8-5-10(16-3)9(15-2)4-7(8)11(14)13-6/h4-5H,1-3H3,(H,12,13,14)
• InChIKey: WMDKXNXSIGTHGJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,7-dimethoxy-2-methylquinazolin-4-ol
• IUPAC Traditional name: 6,7-dimethoxy-2-methylquinazolin-4-ol
• Synonyms: 6,7-Dimethoxy-2-methylquinazolin-4-ol

Database IDs

• CAS Number: 35241-23-7
• MDL Number: MFCD11110218
• PubChem SID: 180673398
• PubChem CID: 334010

CALCULATED PROPERTIES

• Acid pKa: 13.20015
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.8973593
• LogD (pH = 7.4): 1.8974601
• Log P: 1.897462
• Molar Refractivity: 58.6457 cm^3
• Polarizability: 23.454494 Å^3
• Polar Surface Area: 64.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%