ethyl 4-chloro-6-methoxyquinazoline-2-carboxylate

• ChemBase ID: 802361
• Molecular Formular: C12H11ClN2O3
• Molecular Mass: 266.68034
• Monoisotopic Mass: 266.0458199
• SMILES: c1(ccc2nc(nc(c2c1)Cl)C(=O)OCC)OC
• Canonical SMILES: CCOC(=O)c1nc(Cl)c2c(n1)ccc(c2)OC
• InChI: InChI=1S/C12H11ClN2O3/c1-3-18-12(16)11-14-9-5-4-7(17-2)6-8(9)10(13)15-11/h4-6H,3H2,1-2H3
• InChIKey: BKBKGEHZTOGPIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 4-chloro-6-methoxyquinazoline-2-carboxylate
• IUPAC Traditional name: ethyl 4-chloro-6-methoxyquinazoline-2-carboxylate
• Synonyms: ETHYL 4-CHLORO-6-METHOXYQUINAZOLINE-2-CARBOXYLATE

Database IDs

• CAS Number: 364385-74-0

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.7958481
• LogD (pH = 7.4): 2.7958481
• Log P: 2.7958481
• Molar Refractivity: 67.5646 cm^3
• Polarizability: 26.810722 Å^3
• Polar Surface Area: 61.31 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%