CHEBI:107262 - 1-[2-[(3-cyano-7-methyl-2-quinolinyl)amino]ethyl]-3-[3-(4-morpholinyl)propyl]thiourea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-[2-[(3-cyano-7-methyl-2-quinolinyl)amino]ethyl]-3-[3-(4-morpholinyl)propyl]thiourea
ChEBI ID CHEBI:107262
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C21H28N6OS
Net Charge 0
Average Mass 412.554
Monoisotopic Mass 412.20453
InChI InChI=1S/C21H28N6OS/c1-16-3-4-17-14-18(15-22)20(26-19(17)13-16)23-6-7-25-21(29)24-5-2-8-27-9-11-28-12-10-27/h3-4,13-14H,2,5-12H2,1H3,(H,23,26)(H2,24,25,29)
InChIKey BYPBUCYYZAEHDB-UHFFFAOYSA-N
SMILES CC1=CC2=C(C=C1)C=C(C(=N2)NCCNC(=S)NCCCN3CCOCC3)C#N
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1-[2-[(3-cyano-7-methyl-2-quinolinyl)amino]ethyl]-3-[3-(4-morpholinyl)propyl]thiourea (CHEBI:107262) is a aminoquinoline (CHEBI:36709)
Manual Xref Database
LSM-18616 LINCS
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