65X

6-chloro-4-phenyl-2-(piperidin-1-yl)-3-(1H-tetrazol-5-yl)quinoline

Created: 2016-02-02
Last modified:  2017-01-25

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Chemical Details

Formal Charge0
Atom Count47
Chiral Atom Count0
Bond Count51
Aromatic Bond Count22
2D diagram of 65X

Chemical Component Summary

Name6-chloro-4-phenyl-2-(piperidin-1-yl)-3-(1H-tetrazol-5-yl)quinoline
Systematic Name (OpenEye OEToolkits)6-chloranyl-4-phenyl-2-piperidin-1-yl-3-(1~{H}-1,2,3,4-tetrazol-5-yl)quinoline
FormulaC21 H19 Cl N6
Molecular Weight390.869
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01c2(c(c1nnnn1)c(nc3ccc(cc23)Cl)N4CCCCC4)c5ccccc5
SMILESCACTVS3.385Clc1ccc2nc(N3CCCCC3)c(c4[nH]nnn4)c(c5ccccc5)c2c1
SMILESOpenEye OEToolkits2.0.4c1ccc(cc1)c2c3cc(ccc3nc(c2c4[nH]nnn4)N5CCCCC5)Cl
Canonical SMILESCACTVS3.385 Clc1ccc2nc(N3CCCCC3)c(c4[nH]nnn4)c(c5ccccc5)c2c1
Canonical SMILESOpenEye OEToolkits2.0.4 c1ccc(cc1)c2c3cc(ccc3nc(c2c4[nH]nnn4)N5CCCCC5)Cl
InChIInChI1.03 InChI=1S/C21H19ClN6/c22-15-9-10-17-16(13-15)18(14-7-3-1-4-8-14)19(20-24-26-27-25-20)21(23-17)28-11-5-2-6-12-28/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,24,25,26,27)
InChIKeyInChI1.03 FXEKONNOBJEKPB-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL3959018
PubChem 71556425
ChEMBL CHEMBL3959018