4-((3-ethynyl-4-fluorophenyl)amino)-7-methoxyquinazolin-6-yl acetate
Product Specifications
- CAS
- 1012057-63-4
- MF
- C19H14FN3O3
- Appearance
- pale-yellow to off-white solid
- Synonym(s)
- 6-Quinazolinol, 4-[(3-ethynyl-4-fluorophenyl)amino]-7-methoxy-, 6-acetate
- Shipping
- ambient temperature
- Storage
- 2-8°C
4-((3-ethynyl-4-fluorophenyl)amino)-7-methoxyquinazolin-6-yl acetate is identified by CAS 1012057-63-4 and molecular formula C19H14FN3O3. PubChem resolves this CAS to one compound, CID 45140352, with molecular weight 351.3. The verified PubChem Title matches the product name exactly. Its official IUPAC name is [4-(3-ethynyl-4-fluoroanilino)-7-methoxyquinazolin-6-yl] acetate, which describes the same one-component molecular graph.
The verified SMILES is CC(=O)OC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)C#C)OC, and the InChIKey is HWEPGOBNKGSELI-UHFFFAOYSA-N. The formula contains nineteen carbons, fourteen hydrogens, one fluorine, three nitrogens, and three oxygens. The SMILES has no dot-separated second component, so the identifier represents the single molecular component recorded for this CAS.
The structure contains a quinazoline ring system. A methoxy group is attached at position 7, while an acetate ester is attached through oxygen at position 6. At position 4, an amino linkage joins the quinazoline core to a phenyl ring bearing fluorine and a terminal ethynyl group. The terminal alkyne is represented by C#C in the verified SMILES. No stereochemical layer is specified for this identity.
For an exact inquiry, provide Rlavie with CAS 1012057-63-4, the complete product name, and the requested quantity. Include a MOL or SDF structure file when structural matching is required. Rlavie can compare the supplied structure with PubChem CID 45140352, the stated SMILES, and InChIKey HWEPGOBNKGSELI-UHFFFAOYSA-N before request-specific information is considered. Request current supporting documentation for any condition-dependent requirements.