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SummaryGeometryRelated PDB entries

C1L

Summary
Name:6-methoxy-3,8-dimethyl-4-(morpholin-4-ylmethyl)-1H-pyrazolo[3,4-b]quinoline
Formula:C18 H22 N4 O2
Formal charge:0
Formula weight:326.393 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.016-methoxy-3,8-dimethyl-4-(morpholin-4-ylmethyl)-1H-pyrazolo[3,4-b]quinoline
OpenEye OEToolkits1.7.64-[(6-methoxy-3,8-dimethyl-1H-pyrazolo[3,4-b]quinolin-4-yl)methyl]morpholine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O(c2cc1c(c3c(nc1c(c2)C)nnc3C)CN4CCOCC4)C
InChIInChI1.03InChI=1S/C18H22N4O2/c1-11-8-13(23-3)9-14-15(10-22-4-6-24-7-5-22)16-12(2)20-21-18(16)19-17(11)14/h8-9H,4-7,10H2,1-3H3,(H,19,20,21)
InChIKeyInChI1.03UBGXXNXAPLUDQK-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370COc1cc(C)c2nc3[nH]nc(C)c3c(CN4CCOCC4)c2c1
SMILESCACTVS3.370COc1cc(C)c2nc3[nH]nc(C)c3c(CN4CCOCC4)c2c1
SMILES_CANONICALOpenEye OEToolkits1.7.6Cc1cc(cc2c1nc3c(c2CN4CCOCC4)c(n[nH]3)C)OC
SMILESOpenEye OEToolkits1.7.6Cc1cc(cc2c1nc3c(c2CN4CCOCC4)c(n[nH]3)C)OC

218500

PDB entries from 2024-04-17

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