<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">320442</id>
  <title nil="true"/>
  <common-name>2-[(2-chlorophenoxy)methyl]-7-iodo-3-pyridin-2-ylquinazolin-4-one</common-name>
  <description>2-[(2-chlorophenoxy)methyl]-7-iodo-3-pyridin-2-ylquinazolin-4-one is a compound with the formula C20H13ClIN3O2. It has an average molecular weight of 489.70 g/mol.</description>
  <cas>75057-70-4</cas>
  <pubchem-id>63864</pubchem-id>
  <chemical-formula>C20H13ClIN3O2</chemical-formula>
  <weight>489.7</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">2026-08-29T19:20:46Z</created-at>
  <updated-at type="dateTime">2026-08-29T19:20:46Z</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>C1=CC=C(C(=C1)OCC2=NC3=C(C=CC(=C3)I)C(=O)N2C4=CC=CC=N4)Cl</moldb-smiles>
  <moldb-formula>C20H13ClIN3O2</moldb-formula>
  <moldb-inchi>InChI=1S/C20H13ClIN3O2/c21-15-5-1-2-6-17(15)27-12-19-24-16-11-13(22)8-9-14(16)20(26)25(19)18-7-3-4-10-23-18/h1-11H,12H2</moldb-inchi>
  <moldb-inchikey>GXQUOEKPNDDQAF-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">488.9741</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>CHEM316335</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-[(2-chlorophenoxy)methyl]-7-iodo-3-pyridin-2-ylquinazolin-4-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>Diazanaphthalenes</klass>
  <subklass>Benzodiazines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0271186</sync-id>
  <structure-inchikey>GXQUOEKPNDDQAF-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>10000000000800000100000000000000000020000000000000000000000000000000022000000000002002000000000000000008000000000000080100120000000400000000000000000000120040000000100000000000040000000000000000000000000000000110000000000000100100000020001000000000000000000000000804020000000002010000000020100000020000000000000000000000000000000040000080000002000000000080000000002000000000000000000000000202001000000000000000010000000000004000200000020000000000000000001002040000000000000000000000020000040000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>5114c0000532865081001b408128a020020214008505200000372042823509cc4c22281512800004110c490802c80000046002a6408d32010026e43100a1c010c7110c00168846100090100000f20280088505f053211b32400415625422d9000c2805270048860045442401c5b40209208680708101e0041119284802510212104801084ef2820808060250ca2c000ab95d889246003e0b1423082020c000a080d310101090c00802000968017c2f100ac804028941084810a06a1048c04230800012a404d0023305808400741512c00d410000425850400d49028008000300901041100888020000000413d15b2020001000309046840e450030007a140602</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€��@h�������@h�������@h�������@(������@(������@h��������(�������`������@(������@(������@(������@(������@h�������@h�������@(������@h������5� �����@(�������(������@(������@(������@h�������@h�������@h�������@h�������@(������� �������h���h���h���h���h��� �������	h�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:25:36Z</structure-indexed-at>
</compound>
