<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">291597</id>
  <title nil="true"/>
  <common-name>Ethyl 6-oxo-3,4-dihydro-2h-pyrimido[2,1-b]quinazoline-1-carboxylate</common-name>
  <description>Ethyl 6-oxo-3,4-dihydro-2h-pyrimido[2,1-b]quinazoline-1-carboxylate belongs to the benzodiazines, a subclass of diazanaphthalenes within the organic compounds. This organoheterocyclic compound has the formula C14H15N3O3 and an average molecular weight of 273.29 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>3074686</pubchem-id>
  <chemical-formula>C14H15N3O3</chemical-formula>
  <weight>273.29</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">2026-08-28T06:42:41Z</created-at>
  <updated-at type="dateTime">2026-08-28T06:42:41Z</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)N1CCCN2C1=NC3=CC=CC=C3C2=O</moldb-smiles>
  <moldb-formula>C14H15N3O3</moldb-formula>
  <moldb-inchi>InChI=1S/C14H15N3O3/c1-2-20-14(19)17-9-5-8-16-12(18)10-6-3-4-7-11(10)15-13(16)17/h3-4,6-7H,2,5,8-9H2,1H3</moldb-inchi>
  <moldb-inchikey>DKEDSGOHEPZQSR-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">273.1113414</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.6</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>CHEM287490</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 6-oxo-3,4-dihydro-2h-pyrimido[2,1-b]quinazoline-1-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>Diazanaphthalenes</klass>
  <subklass>Benzodiazines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0243169</sync-id>
  <structure-inchikey>DKEDSGOHEPZQSR-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000100000000010000000000000000000000000000000000042000020000000000000002004000000000100000000800000000080000000000000000000000000000000000020000000000100000000000000000000000400010000000000000000000100000000020100000000000010000000000800000040400010804000000000000000000000000100010000020000000000000000000000000000040400081000000000000000000000008000800000000000000000040000000000000000000000000000000000002000000200000000000000000000000001000440000000000400000000000100000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������(�������(�������(�������(�������`�������`�������`������@(������@(������@(������@(������@h�������@h�������@h�������@h�������@(������@(�������(�������������� ��(��� ����������	�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:03:55Z</structure-indexed-at>
</compound>
