0WN
N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)butanamide
Find entries where: 0WN
as a non-polymer is covalently linked to polymer or other heterogen groups 3 entries
Chemical Component Summary | |
|---|---|
| Name | N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)butanamide |
| Synonyms | Afatinib, bound form |
| Identifiers | N-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-[(3S)-oxolan-3-yl]oxy-quinazolin-6-yl]-4-(dimethylamino)butanamide |
| Formula | C24 H27 Cl F N5 O3 |
| Molecular Weight | 487.954 |
| Type | NON-POLYMER |
| Isomeric SMILES | CN(C)CCCC(=O)Nc1cc2c(cc1O[C@H]3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F |
| InChI | InChI=1S/C24H27ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h5-6,10-12,14,16H,3-4,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/t16-/m0/s1 |
| InChIKey | JSENTLOBWVHLNR-INIZCTEOSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 61 |
| Chiral Atom Count | 1 |
| Bond Count | 64 |
| Aromatic Bond Count | 17 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 60147041 |
