A1JG6
Summary
| Name: | (2~{R})-~{N}-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-prop-2-ynoxy-quinazolin-6-yl]-1-(2-fluoranylethanoyl)pyrrolidine-2-carboxamide |
| Formula: | C24 H20 Cl F2 N5 O3 |
| Formal charge: | 0 |
| Formula weight: | 499.897 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-~{N}-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-prop-2-ynoxy-quinazolin-6-yl]-1-(2-fluoranylethanoyl)pyrrolidine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C24H20ClF2N5O3/c1-2-8-35-21-11-18-15(23(29-13-28-18)30-14-5-6-17(27)16(25)9-14)10-19(21)31-24(34)20-4-3-7-32(20)22(33)12-26/h1,5-6,9-11,13,20H,3-4,7-8,12H2,(H,31,34)(H,28,29,30)/t20-/m1/s1 |
| InChIKey | InChI | 1.06 | QCTFOWZTGJXRPX-HXUWFJFHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | FCC(=O)N1CCC[C@@H]1C(=O)Nc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OCC#C |
| SMILES | CACTVS | 3.385 | FCC(=O)N1CCC[CH]1C(=O)Nc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OCC#C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C#CCOc1cc2c(cc1NC(=O)[C@H]3CCCN3C(=O)CF)c(ncn2)Nc4ccc(c(c4)Cl)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | C#CCOc1cc2c(cc1NC(=O)C3CCCN3C(=O)CF)c(ncn2)Nc4ccc(c(c4)Cl)F |
