VHQ
Summary
| Name: | 2-chloranyl-4-[(1-methyl-2-oxidanylidene-quinolin-6-yl)amino]pyridine-3-carbonitrile |
| Formula: | C16 H11 Cl N4 O |
| Formal charge: | 0 |
| Formula weight: | 310.738 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-chloranyl-4-[(1-methyl-2-oxidanylidene-quinolin-6-yl)amino]pyridine-3-carbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H11ClN4O/c1-21-14-4-3-11(8-10(14)2-5-15(21)22)20-13-6-7-19-16(17)12(13)9-18/h2-8H,1H3,(H,19,20) |
| InChIKey | InChI | 1.03 | LTKFHNPECDMZIC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1C(=O)C=Cc2cc(Nc3ccnc(Cl)c3C#N)ccc12 |
| SMILES | CACTVS | 3.385 | CN1C(=O)C=Cc2cc(Nc3ccnc(Cl)c3C#N)ccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1c2ccc(cc2C=CC1=O)Nc3ccnc(c3C#N)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1c2ccc(cc2C=CC1=O)Nc3ccnc(c3C#N)Cl |
