349216 <common-name>2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl 2-[(7-chloroquinolin-4-yl)amino]benzoate</common-name> <description>2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl 2-[(7-chloroquinolin-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-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl 2-[(7-chloroquinolin-4-yl)amino]benzoate is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>3043307</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">2026-08-31T13:41:58Z</created-at> <updated-at type="dateTime">2026-08-31T13:41:58Z</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)Cl)C5=CC=CC(=C5)C(F)(F)F</moldb-smiles> <moldb-formula>C29H26ClF3N4O2</moldb-formula> <moldb-inchi>InChI=1S/C29H26ClF3N4O2/c30-21-8-9-23-26(10-11-34-27(23)19-21)35-25-7-2-1-6-24(25)28(38)39-17-16-36-12-14-37(15-13-36)22-5-3-4-20(18-22)29(31,32)33/h1-11,18-19H,12-17H2,(H,34,35)</moldb-inchi> <moldb-inchikey>XBVLEIVXSOQLFB-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>CHEM345109</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-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl 2-[(7-chloroquinolin-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>CED0299541</sync-id> <structure-inchikey>XBVLEIVXSOQLFB-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>400000000002000218002010020000000500004000000000000800000000000000000000000000000000000000020000001000000000000000000001088000000040000004000000000000000000000200000400101000000000000000000000010000140800000000000001000000000000201000000000100000000000000010040000000008040000000000040800000000001000000800000000800000000000004000000000400000800000000400000010c000000a000002800200000000000000000800000000004000000004010008000000004000200000000010000000040000000002040000000000400800000000000000100008040000000</structure-fingerprint> 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