44940 <common-name>Proquinazid</common-name> <description nil="true"/> <cas>189278-12-4</cas> <pubchem-id>11057771</pubchem-id> <chemical-formula>C14H17IN2O2</chemical-formula> <weight>372.2</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">2016-06-03T11:19:38Z</created-at> <updated-at type="dateTime">2026-08-19T06:10:39Z</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>CCCOC1=NC2=C(C=C(I)C=C2)C(=O)N1CCC</moldb-smiles> <moldb-formula>C14H17IN2O2</moldb-formula> <moldb-inchi>InChI=1S/C14H17IN2O2/c1-3-7-17-13(18)11-9-10(15)5-6-12(11)16-14(17)19-8-4-2/h5-6,9H,3-4,7-8H2,1-2H3</moldb-inchi> <moldb-inchikey>FLVBXVXXXMLMOX-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">372.206</moldb-average-mass> <moldb-mono-mass type="decimal">372.03347</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.7</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>9232930</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>CHEM043835</chemdb-id> <dsstox-id>DTXSID1058008</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>Zweckverband Landeswasserversorgung Langenau</stoff-ident-origin> <stoff-ident-id>SI00003927</stoff-ident-id> <susdat-id>NS00000653</susdat-id> <iupac>6-iodo-2-propoxy-3-propylquinazolin-4-one</iupac> <moldb-polar-surface-area>41.900000000000006</moldb-polar-surface-area> <moldb-refractivity>86.08680000000001</moldb-refractivity> <moldb-polarizability>33.33219362562417</moldb-polarizability> <moldb-rotatable-bond-count>5</moldb-rotatable-bond-count> <moldb-acceptor-count>3</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic>0.8265448995235561</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>3.41</moldb-alogps-logp> <moldb-alogps-logs>-4.32</moldb-alogps-logs> <moldb-alogps-solubility>1.77e-02 g/l</moldb-alogps-solubility> <kingdom nil="true"/> <superklass nil="true"/> <klass nil="true"/> <subklass nil="true"/> </compound>