20026 <common-name>Quinelorane</common-name> <description nil="true"/> <cas>97466-90-5</cas> <pubchem-id nil="true"/> <chemical-formula>C14H22N4</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">2016-05-22T05:40:16Z</created-at> <updated-at type="dateTime">2026-04-06T13:10:14Z</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>[H][C@]12CCCN(CCC)[C@]1([H])CC1=CNC(=N)N=C1C2</moldb-smiles> <moldb-formula>C14H22N4</moldb-formula> <moldb-inchi>InChI=1S/C14H22N4/c1-2-5-18-6-3-4-10-7-12-11(8-13(10)18)9-16-14(15)17-12/h9-10,13H,2-8H2,1H3,(H2,15,16,17)/t10-,13-/m1/s1</moldb-inchi> <moldb-inchikey>TUFADSGTJUOBEH-ZWNOBZJWSA-N</moldb-inchikey> <moldb-average-mass type="decimal">246.358</moldb-average-mass> <moldb-mono-mass type="decimal">246.184446724</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <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>CHEM018921</chemdb-id> <dsstox-id>DTXSID4046315</dsstox-id> <toxcast-id>46315</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00125496</susdat-id> <iupac>(5aR,9aR)-6-propyl-2H,3H,5H,5aH,6H,7H,8H,9H,9aH,10H-pyrido[2,3-g]quinazolin-2-imine</iupac> </compound>