349215 <common-name>2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl 2-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzoate</common-name> <description>2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl 2-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzoate is a chemical compound with the formula C29H26ClF3N4O2. With an average molecular weight of 555.00 g/mol, 2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl 2-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzoate is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>3043252</pubchem-id> <chemical-formula>C29H26ClF3N4O2</chemical-formula> <weight>555</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">2026-08-31T13:41:52Z</created-at> <updated-at type="dateTime">2026-08-31T13:41:52Z</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>C1CN(CCN1CCOC(=O)C2=CC=CC=C2NC3=C4C=CC(=CC4=NC=C3)C(F)(F)F)C5=CC(=CC=C5)Cl</moldb-smiles> <moldb-formula>C29H26ClF3N4O2</moldb-formula> <moldb-inchi>InChI=1S/C29H26ClF3N4O2/c30-21-4-3-5-22(19-21)37-14-12-36(13-15-37)16-17-39-28(38)24-6-1-2-7-25(24)35-26-10-11-34-27-18-20(29(31,32)33)8-9-23(26)27/h1-11,18-19H,12-17H2,(H,34,35)</moldb-inchi> <moldb-inchikey>ZCFURLKVMXTVMO-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">554.1696383</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>7.3</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>CHEM345108</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>2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl 2-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzoate</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>Diazinanes</klass> <subklass>Piperazines</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0299540</sync-id> <structure-inchikey>ZCFURLKVMXTVMO-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>400000000002000218002010020000000500004000100000000800000000000000000000000000000000000000020000001000000000000000000001088000000040000004000000080000000000000200000400101000000000000000000000010000140000000000000001000000000000201000000000100000000000000010040000000008040000000000040800000000001000000800000000800000000000000000000000400000800000000400000010c000000a000000800200000000000000000800000000004000000404010008000000004000200000000010000000040000000002040000000000400800000000000000100008000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ����������������'���+���€���`�������`�������(�������`�������`������� ������`�������`�������(�������(�������(������@(������@h�������@h�������@h�������@h�������@(�������h�������@(������@(������@h�������@h�������@(������@h�������@(������@(������@h�������@h�������� ���� � ���� � ���� � �����@(������@h�������@(������@h�������@h�������@h�������� ������������������������������ (� � ��h�� h� �h���h���h��� �� ��h���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">2026-09-19T05:47:21Z</structure-indexed-at> </compound>