QUK
Summary
| Name: | 8-azanyl-4-(3-azanylpropoxy)quinoline-2-carboxylic acid |
| Formula: | C13 H15 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 261.276 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | 8-azanyl-4-(3-azanylpropoxy)quinoline-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H15N3O3/c14-5-2-6-19-11-7-10(13(17)18)16-12-8(11)3-1-4-9(12)15/h1,3-4,7H,2,5-6,14-15H2,(H,17,18) |
| InChIKey | InChI | 1.03 | QGMHWPPZJKLYHR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCCOc1cc(nc2c(N)cccc12)C(O)=O |
| SMILES | CACTVS | 3.385 | NCCCOc1cc(nc2c(N)cccc12)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | c1cc2c(cc(nc2c(c1)N)C(=O)O)OCCCN |
| SMILES | OpenEye OEToolkits | 2.0.5 | c1cc2c(cc(nc2c(c1)N)C(=O)O)OCCCN |
