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Details

Stereochemistry ACHIRAL
Molecular Formula C20H17NO5
Molecular Weight 351.3527
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(2-HYDROXY-3,4-DIMETHOXYPHENYL)-3-(2-QUINOLINYL)-1,3-PROPANEDIONE

SMILES

COC1=CC=C(C(=O)CC(=O)C2=CC=C3C=CC=CC3=N2)C(O)=C1OC

InChI

InChIKey=KBHJOCQZERDMGU-UHFFFAOYSA-N
InChI=1S/C20H17NO5/c1-25-18-10-8-13(19(24)20(18)26-2)16(22)11-17(23)15-9-7-12-5-3-4-6-14(12)21-15/h3-10,24H,11H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C20H17NO5
Molecular Weight 351.3527
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 20:03:50 GMT 2025
Edited
by admin
on Tue Apr 01 20:03:50 GMT 2025
Record UNII
ZYV3IS436I
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-(2-HYDROXY-3,4-DIMETHOXYPHENYL)-3-(2-QUINOLINYL)-1,3-PROPANEDIONE
Systematic Name English
NSC-56539
Preferred Name English
1,3-PROPANEDIONE, 1-(2-HYDROXY-3,4-DIMETHOXYPHENYL)-3-(2-QUINOLINYL)-
Systematic Name English
1,3-PROPANEDIONE, 1-(2-HYDROXY-3,4-DIMETHOXYPHENYL)-3-(2-QUINOLYL)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID50216412
Created by admin on Tue Apr 01 20:03:50 GMT 2025 , Edited by admin on Tue Apr 01 20:03:50 GMT 2025
PRIMARY
PUBCHEM
245039
Created by admin on Tue Apr 01 20:03:50 GMT 2025 , Edited by admin on Tue Apr 01 20:03:50 GMT 2025
PRIMARY
FDA UNII
ZYV3IS436I
Created by admin on Tue Apr 01 20:03:50 GMT 2025 , Edited by admin on Tue Apr 01 20:03:50 GMT 2025
PRIMARY
CAS
6622-17-9
Created by admin on Tue Apr 01 20:03:50 GMT 2025 , Edited by admin on Tue Apr 01 20:03:50 GMT 2025
PRIMARY
NSC
56539
Created by admin on Tue Apr 01 20:03:50 GMT 2025 , Edited by admin on Tue Apr 01 20:03:50 GMT 2025
PRIMARY