HKI
N-(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)butanamide
Find entries where: HKI
as a non-polymer is covalently linked to polymer or other heterogen groups 2 entries
Chemical Component Summary | |
|---|---|
| Name | N-(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)butanamide |
| Synonyms | Neratinib (HKI-272), bound form |
| Identifiers | N-[4-[[3-chloranyl-4-(pyridin-2-ylmethoxy)phenyl]amino]-3-cyano-7-ethoxy-quinolin-6-yl]-4-(dimethylamino)butanamide |
| Formula | C30 H31 Cl N6 O3 |
| Molecular Weight | 559.059 |
| Type | NON-POLYMER |
| Isomeric SMILES | CCOc1cc2c(cc1NC(=O)CCCN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)OCc4ccccn4 |
| InChI | InChI=1S/C30H31ClN6O3/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22/h5-6,8,10-12,14-16,18H,4,7,9,13,19H2,1-3H3,(H,34,35)(H,36,38) |
| InChIKey | MIURWHKJMYMLCP-UHFFFAOYSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 71 |
| Chiral Atom Count | 0 |
| Bond Count | 74 |
| Aromatic Bond Count | 23 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 44560357 |
