321887 <common-name>Propan-2-yl 1-pyridin-3-yl-2,3,4,9-tetrahydro-1h-pyrido[3,4-b]indole-3-carboxylate</common-name> <description>Propan-2-yl 1-pyridin-3-yl-2,3,4,9-tetrahydro-1h-pyrido[3,4-b]indole-3-carboxylate is a chemical compound with the formula C20H21N3O2. It has an average molecular weight of 335.40 g/mol.</description> <cas>119377-10-5</cas> <pubchem-id>3088788</pubchem-id> <chemical-formula>C20H21N3O2</chemical-formula> <weight>335.4</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">2026-08-29T21:37:45Z</created-at> <updated-at type="dateTime">2026-08-29T21:37:45Z</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>CC(C)OC(=O)C1CC2=C(C(N1)C3=CN=CC=C3)NC4=CC=CC=C24</moldb-smiles> <moldb-formula>C20H21N3O2</moldb-formula> <moldb-inchi>InChI=1S/C20H21N3O2/c1-12(2)25-20(24)17-10-15-14-7-3-4-8-16(14)22-19(15)18(23-17)13-6-5-9-21-11-13/h3-9,11-12,17-18,22-23H,10H2,1-2H3</moldb-inchi> <moldb-inchikey>IQHNSNZMJCCYGA-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">335.1633769</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.9</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>CHEM317780</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>Propan-2-yl 1-pyridin-3-yl-2,3,4,9-tetrahydro-1h-pyrido[3,4-b]indole-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>Alkaloids and derivatives</superklass> <klass>Harmala alkaloids</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0272598</sync-id> <structure-inchikey>IQHNSNZMJCCYGA-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000400000000000100000000000000000000000000010000000002001000000000000000000060002000000000000004000000000000000000000002000000000000400000000000020220000000000100000040000004000000000000010000000000000000000000000000020000000000002000000000100000100040000000800000200000000080000800000100020000000000000001000010000000000000048000080000000000000000000000000000000000000100000100040020001000000000000001000000000080000000004200000001000000010000002000002040000000000400000000000000200000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������(�������(�������(�������`�������`������@(������@(�������`�������`������@(������@h�������@(������@h�������@h�������@h�������@8�������@(������@h�������@h�������@h�������@h�������@(����������������� ��(����������� h� � �� ��� h� �h���h���h���h� �h���h���h���h���h���h���h������h���h���h�B������� ��� ������� ��������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:26:35Z</structure-indexed-at> </compound>