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| IUPAC Name: | N-(4-chloro-3-cyano-7-ethoxyquinolin-6-yl)acetamide |
| Description: | 6-Acetamido-4-chloro-7-ethoxyquinoline-3-carbonitrile (CAS# 848133-76-6) is used in synthesis of an antitumor agent, neratinib (N390090). |
| Molecular Weight: | 289.72 |
| Molecular Formula: | C14H12ClN3O2 |
| Canonical SMILES: | CCOC1=C(C=C2C(=C1)N=CC(=C2Cl)C#N)NC(=O)C |
| InChI: | InChI=1S/C14H12ClN3O2/c1-3-20-13-5-11-10(4-12(13)18-8(2)19)14(15)9(6-16)7-17-11/h4-5,7H,3H2,1-2H3,(H,18,19) |
| InChI Key: | XDXGFTCQRAQEEG-UHFFFAOYSA-N |
| Boiling Point: | 518.6 °C at 760 mmHg |
| Density: | 1.35 g/cm3 |
| Appearance: | Solid |
| LogP: | 3.18998 |
![7H-Pyrrolo[2,3-d]pyrimidine-4-carbonitrile](https://resource.bocsci.com/structure/1005206-16-5.gif)
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