CHEBI:113210 - 6-methyl-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-3-quinolinecarbonitrile

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 6-methyl-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-3-quinolinecarbonitrile
ChEBI ID CHEBI:113210
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C20H18N4OS
Net Charge 0
Average Mass 362.450
Monoisotopic Mass 362.12013
InChI InChI=1S/C20H18N4OS/c1-14-4-5-17-15(11-14)12-16(13-21)19(22-17)23-6-8-24(9-7-23)20(25)18-3-2-10-26-18/h2-5,10-12H,6-9H2,1H3
InChIKey PKMXGACTKAQYKU-UHFFFAOYSA-N
SMILES CC1=CC2=C(C=C1)N=C(C(=C2)C#N)N3CCN(CC3)C(=O)C4=CC=CS4
ChEBI Ontology
Outgoing 6-methyl-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-3-quinolinecarbonitrile (CHEBI:113210) is a piperazines (CHEBI:26144)
6-methyl-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-3-quinolinecarbonitrile (CHEBI:113210) is a pyridines (CHEBI:26421)
Manual Xref Database
LSM-24621 LINCS
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