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CHEBI:129972 - 1-[(1R,2aS,8bS)-1-(hydroxymethyl)-2-(4-oxazolylmethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-1-butanone

ChEBI IDCHEBI:129972
ChEBI Name1-[(1R,2aS,8bS)-1-(hydroxymethyl)-2-(4-oxazolylmethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-1-butanone
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DownloadsMolfile
FormulaC19H23N3O3
Net Charge0
Average Mass341.411
Monoisotopic Mass341.17394
SMILESCCCC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2Cc1cocn1
InChIInChI=1S/C19H23N3O3/c1-2-5-18(24)22-9-16-19(14-6-3-4-7-15(14)22)17(10-23)21(16)8-13-11-25-12-20-13/h3-4,6-7,11-12,16-17,19,23H,2,5,8-10H2,1H3/t16-,17+,19+/m1/s1
InChIKeyDJJJRMTZLLUIKB-AOIWGVFYSA-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)
1-[(1R,2aS,8bS)-1-(hydroxymethyl)-2-(4-oxazolylmethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-1-butanone (CHEBI:129972) is a aminoquinoline (CHEBI:36709)
Manual XrefsDatabases
LSM-41523LINCS