46023 <common-name>N,N-di-n-butyl-2-(1,2-dihydro-3-hydroxy-6-isopropyl-2-quinolylidene)-1,3-dioxoindan-5-carboxamide</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>91981577</pubchem-id> <chemical-formula>C30H34N2O4</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">2016-06-03T12:41:08Z</created-at> <updated-at type="dateTime">2026-03-31T18:06:00Z</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>CCCCN(CCCC)C(=O)C1=CC2=C(C=C1)C(=O)C(C2=O)=C1NC2=C(C=C(C=C2)C(C)C)C=C1O</moldb-smiles> <moldb-formula>C30H34N2O4</moldb-formula> <moldb-inchi>InChI=1S/C30H34N2O4/c1-5-7-13-32(14-8-6-2)30(36)20-9-11-22-23(16-20)29(35)26(28(22)34)27-25(33)17-21-15-19(18(3)4)10-12-24(21)31-27/h9-12,15-18,31,33H,5-8,13-14H2,1-4H3</moldb-inchi> <moldb-inchikey>KOEKGGSKIRCMGQ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">486.612</moldb-average-mass> <moldb-mono-mass type="decimal">486.251857583</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>57440773</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>CHEM044918</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin>REACH</stoff-ident-origin> <stoff-ident-id>SI00006975</stoff-ident-id> <susdat-id>NS00009883</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>86.71000000000001</moldb-polar-surface-area> <moldb-refractivity>147.5559</moldb-refractivity> <moldb-polarizability>57.76513882509404</moldb-polarizability> <moldb-rotatable-bond-count>8</moldb-rotatable-bond-count> <moldb-acceptor-count>5</moldb-acceptor-count> <moldb-donor-count>2</moldb-donor-count> <moldb-pka-strongest-acidic>8.803135084177857</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-1.0154057459724033</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>4</moldb-number-of-rings> <moldb-alogps-logp>5.36</moldb-alogps-logp> <moldb-alogps-logs>-5.87</moldb-alogps-logs> <moldb-alogps-solubility>6.57e-04 g/l</moldb-alogps-solubility> </compound>