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CHEBI:131009 - [(1S,2aR,8bR)-2-(cyclopentylmethyl)-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-(2-pyrazinyl)methanone

ChEBI IDCHEBI:131009
ChEBI Name[(1S,2aR,8bR)-2-(cyclopentylmethyl)-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-(2-pyrazinyl)methanone
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DownloadsMolfile
FormulaC22H26N4O2
Net Charge0
Average Mass378.476
Monoisotopic Mass378.20558
SMILESO=C(c1cnccn1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2CC1CCCC1
InChIInChI=1S/C22H26N4O2/c27-14-20-21-16-7-3-4-8-18(16)26(22(28)17-11-23-9-10-24-17)13-19(21)25(20)12-15-5-1-2-6-15/h3-4,7-11,15,19-21,27H,1-2,5-6,12-14H2/t19-,20+,21+/m0/s1
InChIKeyJGYATIWRVBGIJM-PWRODBHTSA-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)
[(1S,2aR,8bR)-2-(cyclopentylmethyl)-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-(2-pyrazinyl)methanone (CHEBI:131009) is a aminoquinoline (CHEBI:36709)
Manual XrefsDatabases
LSM-42557LINCS