287081 <common-name>6-butan-2-yl-4-chloro-3-nitroquinoline</common-name> <description>6-butan-2-yl-4-chloro-3-nitroquinoline belongs to the nitroquinolines and derivatives, a subclass of quinolines and derivatives within the organic compounds. It is an organoheterocyclic compound with the chemical formula C13H13ClN2O2 and an average molecular weight of 264.71 g/mol.</description> <cas>1982832-10-9</cas> <pubchem-id>113716367</pubchem-id> <chemical-formula>C13H13ClN2O2</chemical-formula> <weight>264.71</weight> <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">2026-08-27T23:25:12Z</created-at> <updated-at type="dateTime">2026-08-27T23:25:12Z</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>CCC(C)C1=CC2=C(C(=CN=C2C=C1)[N+](=O)[O-])Cl</moldb-smiles> <moldb-formula>C13H13ClN2O2</moldb-formula> <moldb-inchi>InChI=1S/C13H13ClN2O2/c1-3-8(2)9-4-5-11-10(6-9)13(14)12(7-15-11)16(17)18/h4-8H,3H2,1-2H3</moldb-inchi> <moldb-inchikey>SDYGAHAYHKBWTN-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">264.0665554</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.3</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <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>CHEM282974</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>6-butan-2-yl-4-chloro-3-nitroquinoline</iupac> <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>Organoheterocyclic compounds</superklass> <klass>Quinolines and derivatives</klass> <subklass>Nitroquinolines and derivatives</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0238867</sync-id> <structure-inchikey>SDYGAHAYHKBWTN-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000800000000000000000000080000000000000000000000000041002000000000000002000002000000000000000000000000000000200000000000000400800000000000004000020000000000000001800000000400000000000000000000200000000100000000000000000000040000000000010000000000040000000004000000000100000000000001000000000000000000000008000000000000000040400080000000400000000080000080000000000000100800000000000000000000000000000000010000000000000000200000000000000000000000024000040000000000000100000001000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAASAAAAEwAAAIABBgBgAAAAAQMGAGAAAAAC AgYAYAAAAAMBBgBgAAAAAQMGQCgAAAADBAZAaAAAAAMDAQZAKAAAAAMEBkAo AAAAAwQGQCgAAAADBAZAaAAAAAMDAQdAKAAAAAMDBkAoAAAAAwQGQGgAAAAD AwEGQGgAAAADAwEHICoAAAABAwQIACgAAAADAgggKgAAAP8DAREAIAAAAAEL AAEAAQIAAgMAAgQABAVoDAUGaAwGB2gMBwhoDAgJaAwJCmgMCgtoDAsMaAwM DWgMCA4gDg8oAg4QIAcRAA0EaAwLBmgMQgIAAAAGBA0MCwYFBgcICQoLBhcE AAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:00:33Z</structure-indexed-at> </compound>