4-chloro-6-(propan-2-yloxy)quinazoline

• ChemBase ID: 52670
• Molecular Formular: C11H11ClN2O
• Molecular Mass: 222.67084
• Monoisotopic Mass: 222.05599066
• SMILES: c1(ccc2c(c1)c(ncn2)Cl)OC(C)C
• Canonical SMILES: CC(Oc1ccc2c(c1)c(Cl)ncn2)C
• InChI: InChI=1S/C11H11ClN2O/c1-7(2)15-8-3-4-10-9(5-8)11(12)14-6-13-10/h3-7H,1-2H3
• InChIKey: FKMDJWCZSDSMHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-6-(propan-2-yloxy)quinazoline
• IUPAC Traditional name: 4-chloro-6-isopropoxyquinazoline
• Synonyms: 4-Chloro-6-isopropoxyquinazoline

Database IDs

• MDL Number: MFCD14708214
• PubChem SID: 162057433
• PubChem CID: 46835709

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.8649817
• LogD (pH = 7.4): 2.864996
• Log P: 2.8649962
• Molar Refractivity: 60.2972 cm^3
• Polarizability: 24.185066 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%