N8S

4-amino-N-(6-chloro-2-fluoro-3-{[(2-fluorophenyl)sulfonyl]amino}phenyl)-6-(1,3-dimethyl-1H-pyrazol-4-yl)quinazoline-8-carboxamide

Created:2019-05-08
Last modified:  2021-04-21

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Chemical Details

Formal Charge0
Atom Count60
Chiral Atom Count0
Bond Count64
Aromatic Bond Count28
2D diagram of N8S

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Chemical Component Summary

Name4-amino-N-(6-chloro-2-fluoro-3-{[(2-fluorophenyl)sulfonyl]amino}phenyl)-6-(1,3-dimethyl-1H-pyrazol-4-yl)quinazoline-8-carboxamide
Systematic Name (OpenEye OEToolkits)4-azanyl-~{N}-[6-chloranyl-2-fluoranyl-3-[(2-fluorophenyl)sulfonylamino]phenyl]-6-(1,3-dimethylpyrazol-4-yl)quinazoline-8-carboxamide
FormulaC26 H20 Cl F2 N7 O3 S
Molecular Weight583.997
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c5c(c2cc1c(ncnc1c(c2)C(Nc3c(Cl)ccc(c3F)NS(c4c(cccc4)F)(=O)=O)=O)N)c(C)nn5C
SMILESCACTVS3.385Cn1cc(c(C)n1)c2cc3c(N)ncnc3c(c2)C(=O)Nc4c(Cl)ccc(N[S](=O)(=O)c5ccccc5F)c4F
SMILESOpenEye OEToolkits2.0.7Cc1c(cn(n1)C)c2cc3c(c(c2)C(=O)Nc4c(ccc(c4F)NS(=O)(=O)c5ccccc5F)Cl)ncnc3N
Canonical SMILESCACTVS3.385 Cn1cc(c(C)n1)c2cc3c(N)ncnc3c(c2)C(=O)Nc4c(Cl)ccc(N[S](=O)(=O)c5ccccc5F)c4F
Canonical SMILESOpenEye OEToolkits2.0.7 Cc1c(cn(n1)C)c2cc3c(c(c2)C(=O)Nc4c(ccc(c4F)NS(=O)(=O)c5ccccc5F)Cl)ncnc3N
InChIInChI1.03 InChI=1S/C26H20ClF2N7O3S/c1-13-17(11-36(2)34-13)14-9-15-23(31-12-32-25(15)30)16(10-14)26(37)33-24-18(27)7-8-20(22(24)29)35-40(38,39)21-6-4-3-5-19(21)28/h3-12,35H,1-2H3,(H,33,37)(H2,30,31,32)
InChIKeyInChI1.03 SLZQHMNLJFHHQH-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 155899127