2-chloro-4,6-dimethoxyquinazoline

• ChemBase ID: 804506
• Molecular Formular: C10H9ClN2O2
• Molecular Mass: 224.64366
• Monoisotopic Mass: 224.03525522
• SMILES: c1(ccc2nc(nc(c2c1)OC)Cl)OC
• Canonical SMILES: COc1nc(Cl)nc2c1cc(OC)cc2
• InChI: InChI=1S/C10H9ClN2O2/c1-14-6-3-4-8-7(5-6)9(15-2)13-10(11)12-8/h3-5H,1-2H3
• InChIKey: QPRPCOUSQCENMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-4,6-dimethoxyquinazoline
• IUPAC Traditional name: 2-chloro-4,6-dimethoxyquinazoline
• Synonyms: 2-CHLORO-4,6-DIMETHOXYQUINAZOLINE

Database IDs

• CAS Number: 952434-89-8

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.6127267
• LogD (pH = 7.4): 2.6127279
• Log P: 2.6127279
• Molar Refractivity: 57.539 cm^3
• Polarizability: 23.08801 Å^3
• Polar Surface Area: 44.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%