1K8
Summary
Name: | 3-chloranyl-2-piperazin-1-yl-quinoline |
Synonyms: | BDM88855 153987774 |
Formula: | C13 H14 Cl N3 |
Formal charge: | 0 |
Formula weight: | 247.723 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | 3-chloranyl-2-piperazin-1-yl-quinoline |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C13H14ClN3/c14-11-9-10-3-1-2-4-12(10)16-13(11)17-7-5-15-6-8-17/h1-4,9,15H,5-8H2 |
InChIKey | InChI | 1.03 | JJZVQFQJCHXCFQ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Clc1cc2ccccc2nc1N3CCNCC3 |
SMILES | CACTVS | 3.385 | Clc1cc2ccccc2nc1N3CCNCC3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)cc(c(n2)N3CCNCC3)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)cc(c(n2)N3CCNCC3)Cl |