4-chloro-6-methoxy-2-methylquinazoline

• ChemBase ID: 241740
• Molecular Formular: C10H9ClN2O
• Molecular Mass: 208.64426
• Monoisotopic Mass: 208.0403406
• SMILES: c12c(nc(nc1ccc(c2)OC)C)Cl
• Canonical SMILES: COc1ccc2c(c1)c(Cl)nc(n2)C
• InChI: InChI=1S/C10H9ClN2O/c1-6-12-9-4-3-7(14-2)5-8(9)10(11)13-6/h3-5H,1-2H3
• InChIKey: YOQQPWWCYHJCGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-6-methoxy-2-methylquinazoline
• IUPAC Traditional name: 4-chloro-6-methoxy-2-methylquinazoline
• Synonyms: 4-chloro-6-methoxy-2-methylquinazoline

Database IDs

• MDL Number: MFCD12024901
• PubChem SID: 164297650
• PubChem CID: 12277602

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.604077
• LogD (pH = 7.4): 2.6042078
• Log P: 2.6042094
• Molar Refractivity: 55.7542 cm^3
• Polarizability: 22.26368 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 119 - 121°C
• Hydrophobicity(logP): 2.689

Product Information

• Purity: 95%