2QT
Summary
| Name: | N-[3-(4-aminoquinazolin-6-yl)-5-fluorophenyl]-2-(pyrrolidin-1-yl)acetamide |
| Formula: | C20 H20 F N5 O |
| Formal charge: | 0 |
| Formula weight: | 365.404 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[3-(4-aminoquinazolin-6-yl)-5-fluorophenyl]-2-(pyrrolidin-1-yl)acetamide |
| OpenEye OEToolkits | 1.7.6 | N-[3-(4-azanylquinazolin-6-yl)-5-fluoranyl-phenyl]-2-pyrrolidin-1-yl-ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc3cc(c2cc1c(ncnc1cc2)N)cc(F)c3)CN4CCCC4 |
| InChI | InChI | 1.03 | InChI=1S/C20H20FN5O/c21-15-7-14(13-3-4-18-17(9-13)20(22)24-12-23-18)8-16(10-15)25-19(27)11-26-5-1-2-6-26/h3-4,7-10,12H,1-2,5-6,11H2,(H,25,27)(H2,22,23,24) |
| InChIKey | InChI | 1.03 | GDCGMGVDMXRLGC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ncnc2ccc(cc12)c3cc(F)cc(NC(=O)CN4CCCC4)c3 |
| SMILES | CACTVS | 3.385 | Nc1ncnc2ccc(cc12)c3cc(F)cc(NC(=O)CN4CCCC4)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc1c3cc(cc(c3)F)NC(=O)CN4CCCC4)c(ncn2)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc1c3cc(cc(c3)F)NC(=O)CN4CCCC4)c(ncn2)N |
