| CAS Number | 1153167-35-1 |
| Catalog Number | AG01A8CD |
| Chemical Name | 4-(Piperazin-1-yl)quinoline-3-carbonitrile |
| IUPAC Name | 4-piperazin-1-ylquinoline-3-carbonitrile |
| InChI | InChI=1S/C14H14N4/c15-9-11-10-17-13-4-2-1-3-12(13)14(11)18-7-5-16-6-8-18/h1-4,10,16H,5-8H2 |
| InChI Key | LINKQAOAYGIVFI-UHFFFAOYSA-N |
| MDL Number | MFCD12115237 |
| Molecular Formula | C14H14N4 |
| Molecular Weight | 238.2878 |
| SMILES | N#CC1=C(N2CCNCC2)C2=C(C=CC=C2)N=C1 |
| Synonyms | 4-(piperazin-1-yl)quinoline-3-carbonitrile,
1153167-35-1,
AC1Q4R11,
CHEMBL3462003,
CTK7C9075,
4-piperazinylquinoline-3-carbonitrile,
ZINC36913117,
AKOS005142569,
MCULE-2977614296,
NE35526,
ST51063237,
EN300-61288,
Z992716990,
|
| Complexity | 328 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.122g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.294g/mol |
| Monoisotopic Mass | 238.122g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 52A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number