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CHEBI:78416 - {2-[(isopropylamino)methyl]-7-nitro-1,2,3,4-tetrahydroquinolin-6-yl}methanol

ChEBI IDCHEBI:78416
ChEBI Name{2-[(isopropylamino)methyl]-7-nitro-1,2,3,4-tetrahydroquinolin-6-yl}methanol
Stars
DefinitionA member of the class of quinolines that is 1,2,3,4-tetrahydroquinoline which is substituted at positions 2, 6, and 7 by (isopropylamino)methyl, hydroxymethyl, and nitro groups, respectively.
Last Modified25 February 2016
SubmitterGareth Owen
DownloadsMolfile
FormulaC14H21N3O3
Net Charge0
Average Mass279.340
Monoisotopic Mass279.15829
SMILESCC(C)NCC1CCc2cc(CO)c([N+](=O)[O-])cc2N1
InChIInChI=1S/C14H21N3O3/c1-9(2)15-7-12-4-3-10-5-11(8-18)14(17(19)20)6-13(10)16-12/h5-6,9,12,15-16,18H,3-4,7-8H2,1-2H3
InChIKeyXCGYUJZMCCFSRP-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)
{2-[(isopropylamino)methyl]-7-nitro-1,2,3,4-tetrahydroquinolin-6-yl}methanol (CHEBI:78416) is a C-nitro compound (CHEBI:35716)
{2-[(isopropylamino)methyl]-7-nitro-1,2,3,4-tetrahydroquinolin-6-yl}methanol (CHEBI:78416) is a aromatic primary alcohol (CHEBI:33857)
{2-[(isopropylamino)methyl]-7-nitro-1,2,3,4-tetrahydroquinolin-6-yl}methanol (CHEBI:78416) is a quinolines (CHEBI:26513)
{2-[(isopropylamino)methyl]-7-nitro-1,2,3,4-tetrahydroquinolin-6-yl}methanol (CHEBI:78416) is a secondary amino compound (CHEBI:50995)
Incoming Relation(s)
(R)-oxamniquine (CHEBI:78417) is a {2-[(isopropylamino)methyl]-7-nitro-1,2,3,4-tetrahydroquinolin-6-yl}methanol (CHEBI:78416)
(S)-oxamniquine (CHEBI:78418) is a {2-[(isopropylamino)methyl]-7-nitro-1,2,3,4-tetrahydroquinolin-6-yl}methanol (CHEBI:78416)
IUPAC Name 
{2-[(isopropylamino)methyl]-7-nitro-1,2,3,4-tetrahydroquinolin-6-yl}methanol
Manual XrefsDatabases
C07341KEGG COMPOUND
D00460KEGG DRUG
LSM-6378LINCS
Registry NumbersSources
CAS:21738-42-1KEGG COMPOUND