EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:114644 - 1-[2-[(3-cyano-5,7-dimethyl-2-quinolinyl)amino]ethyl]-3-(3-methoxypropyl)thiourea

ChEBI IDCHEBI:114644
ChEBI Name1-[2-[(3-cyano-5,7-dimethyl-2-quinolinyl)amino]ethyl]-3-(3-methoxypropyl)thiourea
Stars
DownloadsMolfile
FormulaC19H25N5OS
Net Charge0
Average Mass371.510
Monoisotopic Mass371.17798
SMILESCOCCCNC(=S)NCCNc1nc2cc(C)cc(C)c2cc1C#N
InChIInChI=1S/C19H25N5OS/c1-13-9-14(2)16-11-15(12-20)18(24-17(16)10-13)21-6-7-23-19(26)22-5-4-8-25-3/h9-11H,4-8H2,1-3H3,(H,21,24)(H2,22,23,26)
InChIKeyPMMDMFAGRFABCV-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
1-[2-[(3-cyano-5,7-dimethyl-2-quinolinyl)amino]ethyl]-3-(3-methoxypropyl)thiourea (CHEBI:114644) is a aminoquinoline (CHEBI:36709)
Manual XrefsDatabases
LSM-26106LINCS