331063 <common-name>6-hexyl-4-hydroxy-3-(4-nitrobenzoyl)-1h-quinolin-2-one</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>135687117</pubchem-id> <chemical-formula>C22H22N2O5</chemical-formula> <weight>394.4</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">2026-08-30T11:47:12Z</created-at> <updated-at type="dateTime">2026-08-30T11:47:12Z</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>CCCCCCC1=CC2=C(C=C1)NC(=O)C(=C2O)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]</moldb-smiles> <moldb-formula>C22H22N2O5</moldb-formula> <moldb-inchi>InChI=1S/C22H22N2O5/c1-2-3-4-5-6-14-7-12-18-17(13-14)21(26)19(22(27)23-18)20(25)15-8-10-16(11-9-15)24(28)29/h7-13H,2-6H2,1H3,(H2,23,26,27)</moldb-inchi> <moldb-inchikey>KVNXPCDYPJJVKN-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">394.1528718</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.6</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>CHEM326956</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-hexyl-4-hydroxy-3-(4-nitrobenzoyl)-1h-quinolin-2-one</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>4-aroylquinolines</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0281603</sync-id> <structure-inchikey>KVNXPCDYPJJVKN-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>400000000000000000800000800100000000000000000000200000000000000000000002000220000000000000000000000000000000000000000000000000000000000000000000214000000000000020000000000000001000000012400040000020010000000200000000100000000000000000000000002000010000000000000041000000000000200000010000000000801000000000001000000020000010000000000000040000084000000000000008000000000000000000000010000000000000002000000000000000000000004000000000004220000100000000420000000002000040000000010400001000001000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������`�������`�������`������@(������@h�������@(������@(������@h�������@h�������@8�������@(�������(������@(������@(�������h��������(�������(������@(������@h�������@h�������@(������@h�������@h������� *��������(������ *���ÿ�����������������������h���h�� h� h� �h� �h�� h� �(� �h���h��� �� ��(��� ��h���h���h���h���h��� ��(��� ��h���h���h�B������� ���� ��� �����������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:33:28Z</structure-indexed-at> </compound>