<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">341234</id>
  <title nil="true"/>
  <common-name>Ethyl 2-[4-(2-phenyl-1,8-naphthyridine-3-carbonyl)phenoxy]acetate</common-name>
  <description>Ethyl 2-[4-(2-phenyl-1,8-naphthyridine-3-carbonyl)phenoxy]acetate is a chemical compound with the formula C25H20N2O4. It has an average molecular weight of 412.40 g/mol.</description>
  <cas>136603-10-6</cas>
  <pubchem-id>3077986</pubchem-id>
  <chemical-formula>C25H20N2O4</chemical-formula>
  <weight>412.4</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">2026-08-31T01:28:42Z</created-at>
  <updated-at type="dateTime">2026-08-31T01:28:42Z</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>CCOC(=O)COC1=CC=C(C=C1)C(=O)C2=C(N=C3C(=C2)C=CC=N3)C4=CC=CC=C4</moldb-smiles>
  <moldb-formula>C25H20N2O4</moldb-formula>
  <moldb-inchi>InChI=1S/C25H20N2O4/c1-2-30-22(28)16-31-20-12-10-18(11-13-20)24(29)21-15-19-9-6-14-26-25(19)27-23(21)17-7-4-3-5-8-17/h3-15H,2,16H2,1H3</moldb-inchi>
  <moldb-inchikey>XTIOSMJNZQCYQQ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">412.1423071</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.7</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>CHEM337127</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>Ethyl 2-[4-(2-phenyl-1,8-naphthyridine-3-carbonyl)phenoxy]acetate</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>Organic oxygen compounds</superklass>
  <klass>Organooxygen compounds</klass>
  <subklass>Carbonyl compounds</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0291632</sync-id>
  <structure-inchikey>XTIOSMJNZQCYQQ-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>400000000001000000800002000000000010008000000000000000000000000000000002000000300000000000002004000000000000008000010000800000000000000000000000000080000000001020000000000100000200008000000000000000010000000002000000101000000000000000000000000000000000000000100040000001800000000000000000800000000100000040020000000000000000000000000000000000086000000000020000080000000000000000000000000000000000010000000000000000000000004000002000000200000100000000000000000001002040010000000400000000000000000108080000004000</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�	
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	��������������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:41:14Z</structure-indexed-at>
</compound>
