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

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ChEBI Name 6,8-difluoro-4-(pyridin-3-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
ChEBI ID CHEBI:139076
ChEBI ASCII Name 6,8-difluoro-4-(pyridin-3-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C17H14F2N2
Net Charge 0
Average Mass 284.304
Monoisotopic Mass 284.11250
InChI InChI=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
InChIKey NJZHEQOUHLZCOX-UHFFFAOYSA-N
SMILES C=1(C=C(C2=C(C1)C3C=CCC3C(C4=CN=CC=C4)N2)F)F
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 (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
Last Modified
16 November 2017
General Comment
2017-11-16 Note that this is the entry for material with unspecified stereochemistry. Commercial goligicide A is a 10:1 mixture of cis and trans racemates (the (3aS,4R,9bR) stereoisomer is the most active). There are separate entries for individuals stereoisomers, and for golgicide A.