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TQ1

Summary
Name:5-(HYDROXYMETHYL)-8-(1H-PYRROL-2-YL)-2H-[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1-ONE
Formula:C15 H12 N4 O2
Formal charge:0
Formula weight:280.281 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.015-(hydroxymethyl)-8-(1H-pyrrol-2-yl)[1,2,4]triazolo[4,3-a]quinolin-1(2H)-one
OpenEye OEToolkits1.7.05-(hydroxymethyl)-8-(1H-pyrrol-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C1N2c4c(C(=CC2=NN1)CO)ccc(c3cccn3)c4
SMILES_CANONICALCACTVS3.370OCC1=CC2=NNC(=O)N2c3cc(ccc13)c4[nH]ccc4
SMILESCACTVS3.370OCC1=CC2=NNC(=O)N2c3cc(ccc13)c4[nH]ccc4
SMILES_CANONICALOpenEye OEToolkits1.7.0c1cc([nH]c1)c2ccc3c(c2)N4C(=NNC4=O)C=C3CO
SMILESOpenEye OEToolkits1.7.0c1cc([nH]c1)c2ccc3c(c2)N4C(=NNC4=O)C=C3CO
InChIInChI1.03InChI=1S/C15H12N4O2/c20-8-10-7-14-17-18-15(21)19(14)13-6-9(3-4-11(10)13)12-2-1-5-16-12/h1-7,16,20H,8H2,(H,18,21)
InChIKeyInChI1.03FEKDFTQZRBQDGS-UHFFFAOYSA-N

221716

PDB entries from 2024-06-26

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