<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">307772</id>
  <title nil="true"/>
  <common-name>N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxamide</common-name>
  <description>N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxamide belongs to the quinoline carboxamides, a subclass of quinolines and derivatives within the organic compounds. This organoheterocyclic compound has the formula C17H20N2O7 and an average molecular weight of 364.30 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>3077898</pubchem-id>
  <chemical-formula>C17H20N2O7</chemical-formula>
  <weight>364.3</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">2026-08-29T01:59:47Z</created-at>
  <updated-at type="dateTime">2026-08-29T01:59:47Z</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>CCN1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)NC(CO)(CO)CO</moldb-smiles>
  <moldb-formula>C17H20N2O7</moldb-formula>
  <moldb-inchi>InChI=1S/C17H20N2O7/c1-2-19-5-11(16(24)18-17(6-20,7-21)8-22)15(23)10-3-13-14(4-12(10)19)26-9-25-13/h3-5,20-22H,2,6-9H2,1H3,(H,18,24)</moldb-inchi>
  <moldb-inchikey>ROOUNIPLAIFOBR-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">364.127051</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>-0.3</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>CHEM303665</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>N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxamide</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>Quinolines and derivatives</klass>
  <subklass>Quinoline carboxamides</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0258805</sync-id>
  <structure-inchikey>ROOUNIPLAIFOBR-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>8000000200402040000800010003000000000000000000000000002000000000000000002000020000000002000000000000000000000400000800002000000000400000000000000000000000000000020800000000000004000002000000000000000010000000000000000100000000000020100000000000000000000000100000040000000000000000000000080000000000000000400040000000000000000000000000004040000080000000000000000050000000000000000000000000000010000000000000000000000000400000000000040000000000000000080000000004000010040000000400400000000000000000100000004000000</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�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:15:50Z</structure-indexed-at>
</compound>
