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CHEBI:139076 - 6,8-difluoro-4-(pyridin-3-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline

Default Structure
ChEBI IDCHEBI:139076
ChEBI Name6,8-difluoro-4-(pyridin-3-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
Stars
ASCII Name6,8-difluoro-4-(pyridin-3-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
DefinitionAn organic heterotricyclic compound that is 3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline which is substituted by a pyridin-3-yl at position 4 and by fluorines at positions 6 and 8.
Last Modified16 November 2017
SubmitterGareth Owen
DownloadsMolfile
FormulaC17H14F2N2
Net Charge0
Average Mass284.309
Monoisotopic Mass284.11250
SMILESFc1cc(F)c2c(c1)C1C=CCC1C(c1cccnc1)N2
InChIInChI=1S/C17H14F2N2/c18-11-7-14-12-4-1-5-13(12)16(10-3-2-6-20-9-10)21-17(14)15(19)8-11/h1-4,6-9,12-13,16,21H,5H2
InChIKeyNJZHEQOUHLZCOX-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)
6,8-difluoro-4-(pyridin-3-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline (CHEBI:139076) is a organic heterotricyclic compound (CHEBI:26979)
6,8-difluoro-4-(pyridin-3-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline (CHEBI:139076) is a organofluorine compound (CHEBI:37143)
6,8-difluoro-4-(pyridin-3-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline (CHEBI:139076) is a pyridines (CHEBI:26421)
6,8-difluoro-4-(pyridin-3-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline (CHEBI:139076) is a secondary amino compound (CHEBI:50995)
Incoming Relation(s)
(3aR,4R,9bS)-golgicide A (CHEBI:139080) is a 6,8-difluoro-4-(pyridin-3-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline (CHEBI:139076)
(3aR,4S,9bS)-golgicide A (CHEBI:139077) is a 6,8-difluoro-4-(pyridin-3-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline (CHEBI:139076)
(3aS,4R,9bR)-golgicide A (CHEBI:139078) is a 6,8-difluoro-4-(pyridin-3-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline (CHEBI:139076)
(3aS,4S,9bR)-golgicide A (CHEBI:139081) is a 6,8-difluoro-4-(pyridin-3-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline (CHEBI:139076)
IUPAC Name 
6,8-difluoro-4-(pyridin-3-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline