<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">352088</id>
  <title nil="true"/>
  <common-name>Methyl 2-(4-aminophenyl)-1-oxo-7-(pyridin-2-ylmethoxy)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate</common-name>
  <description>Methyl 2-(4-aminophenyl)-1-oxo-7-(pyridin-2-ylmethoxy)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate is a chemical compound with the formula C32H29N3O7. With an average molecular weight of 567.60 g/mol, Methyl 2-(4-aminophenyl)-1-oxo-7-(pyridin-2-ylmethoxy)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate is a heavy molecule.</description>
  <cas>212500-02-2</cas>
  <pubchem-id>5369</pubchem-id>
  <chemical-formula>C32H29N3O7</chemical-formula>
  <weight>567.6</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">2026-08-31T18:13:31Z</created-at>
  <updated-at type="dateTime">2026-08-31T18:13:31Z</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>COC1=CC(=CC(=C1OC)OC)C2=C(N(C(=O)C3=C2C=CC(=C3)OCC4=CC=CC=N4)C5=CC=C(C=C5)N)C(=O)OC</moldb-smiles>
  <moldb-formula>C32H29N3O7</moldb-formula>
  <moldb-inchi>InChI=1S/C32H29N3O7/c1-38-26-15-19(16-27(39-2)30(26)40-3)28-24-13-12-23(42-18-21-7-5-6-14-34-21)17-25(24)31(36)35(29(28)32(37)41-4)22-10-8-20(33)9-11-22/h5-17H,18,33H2,1-4H3</moldb-inchi>
  <moldb-inchikey>ORZROTLRYOYVPB-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">567.2005503</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4</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>CHEM347981</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>Methyl 2-(4-aminophenyl)-1-oxo-7-(pyridin-2-ylmethoxy)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate</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>Pyridines and derivatives</klass>
  <subklass>Phenylpyridines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0302378</sync-id>
  <structure-inchikey>ORZROTLRYOYVPB-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>2800008000000000000000400000080000000000000040104000000020000000202004000000000020000000000000000080000000000000800000000000000000000000000000000000220008000001000002080000400000000000000100000000440004001000c00020000001000000000000000000000000000000400004008000000000000000d0809000000100000000000040000000000000000000080000040000080000000000000000084000000000040000000080000000000000012000000000000000000000000000000004001200002000000008000040000000002040000800000480000000000020000040000000000000</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�#$h�"% &amp; &amp;'(�&amp;( ()���h���h���h���h�$�h�B�������������������������������� !"#$�����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:49:54Z</structure-indexed-at>
</compound>
