4-chloro-6,7-dimethoxy-2-methylquinazoline

• ChemBase ID: 287782
• Molecular Formular: C11H11ClN2O2
• Molecular Mass: 238.67024
• Monoisotopic Mass: 238.05090528
• SMILES: Cc1nc(Cl)c2cc(OC)c(OC)cc2n1
• Canonical SMILES: COc1cc2nc(C)nc(c2cc1OC)Cl
• InChI: InChI=1S/C11H11ClN2O2/c1-6-13-8-5-10(16-3)9(15-2)4-7(8)11(12)14-6/h4-5H,1-3H3
• InChIKey: VHTOWTBCVHATEY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-6,7-dimethoxy-2-methylquinazoline
• IUPAC Traditional name: 4-chloro-6,7-dimethoxy-2-methylquinazoline
• Synonyms: 4-Chloro-6,7-dimethoxy-2-methylquinazoline

Database IDs

• CAS Number: 50377-49-6
• MDL Number: MFCD11046864
• PubChem SID: 180673313
• PubChem CID: 10490150

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.4076917
• LogD (pH = 7.4): 2.40812
• Log P: 2.4081254
• Molar Refractivity: 62.2174 cm^3
• Polarizability: 24.7871 Å^3
• Polar Surface Area: 44.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%