EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:189532 - ICR 340 (free base)

ChEBI IDCHEBI:189532
ChEBI NameICR 340 (free base)
Stars
DefinitionAn organic heterotricyclic compound that is benzo[b][1,5]naphthyridine substituted by methoxy, chloro and {3-[(2-chloroethyl)(ethyl)amino]propyl}amino groups at positions 2, 7 and 10, respectively.
Last Modified24 January 2022
SubmitterAdnan
DownloadsMolfile
FormulaC20H24Cl2N4O
Net Charge0
Average Mass407.345
Monoisotopic Mass406.13272
SMILESCCN(CCCl)CCCNc1c2ccc(Cl)cc2nc2ccc(OC)nc12
InChIInChI=1S/C20H24Cl2N4O/c1-3-26(12-9-21)11-4-10-23-19-15-6-5-14(22)13-17(15)24-16-7-8-18(27-2)25-20(16)19/h5-8,13H,3-4,9-12H2,1-2H3,(H,23,24)
InChIKeyRONPMXQSZMYCGD-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)
ICR 340 (free base) (CHEBI:189532) is a aromatic ether (CHEBI:35618)
ICR 340 (free base) (CHEBI:189532) is a organic heterotricyclic compound (CHEBI:26979)
ICR 340 (free base) (CHEBI:189532) is a organochlorine compound (CHEBI:36683)
ICR 340 (free base) (CHEBI:189532) is a secondary amino compound (CHEBI:50995)
ICR 340 (free base) (CHEBI:189532) is a tertiary amino compound (CHEBI:50996)
ICR 340 (free base) (CHEBI:189532) is conjugate base of ICR 340(2+) (CHEBI:189545)
Incoming Relation(s)
ICR 340(2+) (CHEBI:189545) is conjugate acid of ICR 340 (free base) (CHEBI:189532)
IUPAC Name 
N-(2-chloroethyl)-N'-(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-N-ethylpropane-1,3-diamine
Synonym  Source
ICR-340 (free base)ChEBI