72540 <common-name>3-Bromo-1H-dibenzo(de,h)quinoline-2,7-dione</common-name> <description>3-Bromo-1H-dibenzo(de,h)quinoline-2,7-dione belongs to the oxoisoaporphines, a subclass of isoaporphines within the organic compounds. This compound has the chemical formula C16H8Br1N1O2 and an average molecular weight of 326.15 g/mol. It is further classified under the superclass of alkaloids and derivatives.</description> <cas>31715-46-5</cas> <pubchem-id>12659827</pubchem-id> <chemical-formula>C16H8Br1N1O2</chemical-formula> <weight nil="true"/> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-04-03T22:15:52Z</created-at> <updated-at type="dateTime">2026-04-03T22:15:52Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>BrC1=C2C=CC=C3C(=O)C4=CC=CC=C4C(NC1=O)=C23</moldb-smiles> <moldb-formula>C16H8Br1N1O2</moldb-formula> <moldb-inchi>InChI=1S/C16H8BrNO2/c17-13-10-6-3-7-11-12(10)14(18-16(13)20)8-4-1-2-5-9(8)15(11)19/h1-7H,(H,18,20)</moldb-inchi> <moldb-inchikey>FULFOKOOHYNUNC-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">326.149</moldb-average-mass> <moldb-mono-mass type="decimal">324.973841</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>21229757</chemspider-id> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM068433</chemdb-id> <dsstox-id>DTXSID00185609</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00029166</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Alkaloids and derivatives</superklass> <klass>Isoaporphines</klass> <subklass>Oxoisoaporphines</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0114798</sync-id> <structure-inchikey>FULFOKOOHYNUNC-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>400000000000000000000000000000000000001000000000000000000000000000000000000000200000000080000000000000000000000000000000000000000000000044000000000000000000000000200000000000000000008000020000000000000000000000008000000000000000000000000000000000a000000000000100000000000080000020000000000000000000010000000000000000000000000000000000000004000008a000000000000000002000080000000000000000000000040000000000000100000000000000000000000000004200000000000000001000000000100040000000000004000000000000008000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAUAAAAFwAAAIABIwAgAAAAAQZAKAAAAAME BkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEGQGgAAAADAwEGQCgAAAADBAYA KAAAAAMECAAoAAAAAwIGQCgAAAADBAZAaAAAAAMDAQZAaAAAAAMDAQZAaAAA AAMDAQZAaAAAAAMDAQZAKAAAAAMEBkAoAAAAAwQHQDgAAAADAQMGQCgAAAAD BAgAKAAAAAMCBkAoAAAAAwQLAAEAAQJoDAIDaAwDBGgMBAVoDAUGaAwGByAH CCgCBwkgCQpoDAoLaAwLDGgMDA1oDA0OaAwODyAPEGgMEBFoDBESKAIPE2gM EQFoDBMCaAwTBmgMDgloDEIEAAAABgEREA8TAgYDBAUGEwIGBwkODxMGBgoL DA0OCRcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:21:26Z</structure-indexed-at> </compound>