2,4-dichloro-7-methoxyquinazoline

• ChemBase ID: 52671
• Molecular Formular: C9H6Cl2N2O
• Molecular Mass: 229.06274
• Monoisotopic Mass: 227.98571818
• SMILES: n1c(nc(c2ccc(cc12)OC)Cl)Cl
• Canonical SMILES: COc1ccc2c(c1)nc(nc2Cl)Cl
• InChI: InChI=1S/C9H6Cl2N2O/c1-14-5-2-3-6-7(4-5)12-9(11)13-8(6)10/h2-4H,1H3
• InChIKey: DJLGBZOLTZXCHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dichloro-7-methoxyquinazoline
• IUPAC Traditional name: 2,4-dichloro-7-methoxyquinazoline
• Synonyms: 2,4-Dichloro-7-methoxyquinazoline

Database IDs

• CAS Number: 62484-31-5
• MDL Number: MFCD09954881
• PubChem SID: 162057434
• PubChem CID: 21474002

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.0001633
• LogD (pH = 7.4): 3.0001636
• Log P: 3.0001636
• Molar Refractivity: 56.6284 cm^3
• Polarizability: 22.521652 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%