EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:190049 - 1,2,3,4-Tetrahydro-2-[(isopropylamino)methyl]-7-nitro-6-quinolinecarboxylic acid

ChEBI IDCHEBI:190049
ChEBI Name1,2,3,4-Tetrahydro-2-[(isopropylamino)methyl]-7-nitro-6-quinolinecarboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H19N3O4
Net Charge0
Average Mass293.323
Monoisotopic Mass293.13756
SMILESCC(C)NCC1CCc2cc(C(=O)O)c([N+](=O)[O-])cc2N1
InChIInChI=1S/C14H19N3O4/c1-8(2)15-7-10-4-3-9-5-11(14(18)19)13(17(20)21)6-12(9)16-10/h5-6,8,10,15-16H,3-4,7H2,1-2H3,(H,18,19)
InChIKeyPPNNHOFBKFZKLQ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Brassica napus (ncbitaxon:3708) flower (BTO:0000469) MetaboLights (MTBLS3950)
ChEBI Ontology
Outgoing Relation(s)
1,2,3,4-Tetrahydro-2-[(isopropylamino)methyl]-7-nitro-6-quinolinecarboxylic acid (CHEBI:190049) is a nitro compound (CHEBI:35715)
1,2,3,4-Tetrahydro-2-[(isopropylamino)methyl]-7-nitro-6-quinolinecarboxylic acid (CHEBI:190049) is a quinolines (CHEBI:26513)
IUPAC Name 
7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxylic acid
Registry NumbersSources
CAS:36596-24-4ChemIDplus