GEZ

6-~{tert}-butylsulfonyl-~{N}-(3,4-dimethyl-1~{H}-pyrazol-5-yl)-7-methoxy-quinolin-4-amine

Created:2018-09-13
Last modified:  2018-11-07

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Chemical Details

Formal Charge0
Atom Count51
Chiral Atom Count0
Bond Count53
Aromatic Bond Count16
2D diagram of GEZ

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Chemical Component Summary

Name6-~{tert}-butylsulfonyl-~{N}-(3,4-dimethyl-1~{H}-pyrazol-5-yl)-7-methoxy-quinolin-4-amine
Systematic Name (OpenEye OEToolkits)6-~{tert}-butylsulfonyl-~{N}-(3,4-dimethyl-1~{H}-pyrazol-5-yl)-7-methoxy-quinolin-4-amine
FormulaC19 H24 N4 O3 S
Molecular Weight388.484
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385COc1cc2nccc(Nc3[nH]nc(C)c3C)c2cc1[S](=O)(=O)C(C)(C)C
SMILESOpenEye OEToolkits2.0.6Cc1c(n[nH]c1Nc2ccnc3c2cc(c(c3)OC)S(=O)(=O)C(C)(C)C)C
Canonical SMILESCACTVS3.385 COc1cc2nccc(Nc3[nH]nc(C)c3C)c2cc1[S](=O)(=O)C(C)(C)C
Canonical SMILESOpenEye OEToolkits2.0.6 Cc1c(n[nH]c1Nc2ccnc3c2cc(c(c3)OC)S(=O)(=O)C(C)(C)C)C
InChIInChI1.03 InChI=1S/C19H24N4O3S/c1-11-12(2)22-23-18(11)21-14-7-8-20-15-10-16(26-6)17(9-13(14)15)27(24,25)19(3,4)5/h7-10H,1-6H3,(H2,20,21,22,23)
InChIKeyInChI1.03 LHPFRDAGGDMRMZ-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL4293287
PubChem 60194465
ChEMBL CHEMBL4293287