2NQ

N-{2-chloro-5-[4-(morpholin-4-yl)quinolin-6-yl]pyridin-3-yl}-4-fluorobenzenesulfonamide

Created:2011-05-19
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count54
Chiral Atom Count0
Bond Count58
Aromatic Bond Count24
2D diagram of 2NQ

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Chemical Component Summary

NameN-{2-chloro-5-[4-(morpholin-4-yl)quinolin-6-yl]pyridin-3-yl}-4-fluorobenzenesulfonamide
Systematic Name (OpenEye OEToolkits)N-[2-chloranyl-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-yl]-4-fluoranyl-benzenesulfonamide
FormulaC24 H20 Cl F N4 O3 S
Molecular Weight498.957
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Fc1ccc(cc1)S(=O)(=O)Nc2cc(cnc2Cl)c4cc3c(ccnc3cc4)N5CCOCC5
SMILESCACTVS3.370Fc1ccc(cc1)[S](=O)(=O)Nc2cc(cnc2Cl)c3ccc4nccc(N5CCOCC5)c4c3
SMILESOpenEye OEToolkits1.7.2c1cc(ccc1F)S(=O)(=O)Nc2cc(cnc2Cl)c3ccc4c(c3)c(ccn4)N5CCOCC5
Canonical SMILESCACTVS3.370 Fc1ccc(cc1)[S](=O)(=O)Nc2cc(cnc2Cl)c3ccc4nccc(N5CCOCC5)c4c3
Canonical SMILESOpenEye OEToolkits1.7.2 c1cc(ccc1F)S(=O)(=O)Nc2cc(cnc2Cl)c3ccc4c(c3)c(ccn4)N5CCOCC5
InChIInChI1.03 InChI=1S/C24H20ClFN4O3S/c25-24-22(29-34(31,32)19-4-2-18(26)3-5-19)14-17(15-28-24)16-1-6-21-20(13-16)23(7-8-27-21)30-9-11-33-12-10-30/h1-8,13-15,29H,9-12H2
InChIKeyInChI1.03 RTARVPHTCQRSDW-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL1738719
PubChem 44608915
ChEMBL CHEMBL1738719