CHEBI:77556 - SCH51344

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ChEBI Name SCH51344
ChEBI ID CHEBI:77556
Definition A pyrazoloquinoline that is 6-methoxy-3-methyl-1H-pyrazolo[3,4-b]quinoline bearing an additional 2-[(2-hydroxyethoxy)ethyl]amino substituent at position 4
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Pablo Porras Millan
Supplier Information
Download Molfile XML SDF
Formula C16H20N4O3
Net Charge 0
Average Mass 316.35500
Monoisotopic Mass 316.15354
InChI InChI=1S/C16H20N4O3/c1-10-14-15(17-5-7-23-8-6-21)12-9-11(22-2)3-4-13(12)18-16(14)20-19-10/h3-4,9,21H,5-8H2,1-2H3,(H2,17,18,19,20)
InChIKey YWEGXZZAORIRQR-UHFFFAOYSA-N
SMILES COc1ccc2nc3[nH]nc(C)c3c(NCCOCCO)c2c1
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing SCH51344 (CHEBI:77556) has role antineoplastic agent (CHEBI:35610)
SCH51344 (CHEBI:77556) is a aromatic amine (CHEBI:33860)
SCH51344 (CHEBI:77556) is a aromatic ether (CHEBI:35618)
SCH51344 (CHEBI:77556) is a primary alcohol (CHEBI:15734)
SCH51344 (CHEBI:77556) is a pyrazoloquinoline (CHEBI:74147)
SCH51344 (CHEBI:77556) is a secondary amino compound (CHEBI:50995)
IUPAC Name
2-{2-[(6-methoxy-3-methyl-1H-pyrazolo[3,4-b]quinolin-4-yl)amino]ethoxy}ethanol
Registry Number Type Source
171927-40-5 CAS Registry Number SUBMITTER
Citations Waiting for Citations Types Sources
10667224 PubMed citation Europe PMC
7585559 PubMed citation Europe PMC
9309148 PubMed citation Europe PMC
Last Modified
03 March 2014