ZRP
Summary
| Name: | 4-anilino-6-(hexylamino)-N-methylquinoline-3-carboxamide |
| Formula: | C23 H28 N4 O |
| Formal charge: | 0 |
| Formula weight: | 376.495 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-anilino-6-(hexylamino)-N-methylquinoline-3-carboxamide |
| OpenEye OEToolkits | 2.0.7 | 6-(hexylamino)-~{N}-methyl-4-phenylazanyl-quinoline-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CNC(=O)c1cnc2ccc(cc2c1Nc1ccccc1)NCCCCCC |
| InChI | InChI | 1.03 | InChI=1S/C23H28N4O/c1-3-4-5-9-14-25-18-12-13-21-19(15-18)22(20(16-26-21)23(28)24-2)27-17-10-7-6-8-11-17/h6-8,10-13,15-16,25H,3-5,9,14H2,1-2H3,(H,24,28)(H,26,27) |
| InChIKey | InChI | 1.03 | VPTGXKPVJHDKIV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCNc1ccc2ncc(C(=O)NC)c(Nc3ccccc3)c2c1 |
| SMILES | CACTVS | 3.385 | CCCCCCNc1ccc2ncc(C(=O)NC)c(Nc3ccccc3)c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCCNc1ccc2c(c1)c(c(cn2)C(=O)NC)Nc3ccccc3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCCNc1ccc2c(c1)c(c(cn2)C(=O)NC)Nc3ccccc3 |
