KQ3

N-(3-chlorophenyl)-N-[2-(morpholin-4-yl)ethyl]-N'-(pyridin-3-yl)urea

Created:2023-08-14
Last modified:  2023-11-08

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Chemical Details

Formal Charge0
Atom Count46
Chiral Atom Count0
Bond Count48
Aromatic Bond Count12
2D diagram of KQ3

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Chemical Component Summary

NameN-(3-chlorophenyl)-N-[2-(morpholin-4-yl)ethyl]-N'-(pyridin-3-yl)urea
Systematic Name (OpenEye OEToolkits)1-(3-chlorophenyl)-1-(2-morpholin-4-ylethyl)-3-pyridin-3-yl-urea
FormulaC18 H21 Cl N4 O2
Molecular Weight360.838
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc1cccc(c1)N(CCN1CCOCC1)C(=O)Nc1cccnc1
SMILESCACTVS3.385Clc1cccc(c1)N(CCN2CCOCC2)C(=O)Nc3cccnc3
SMILESOpenEye OEToolkits2.0.7c1cc(cc(c1)Cl)N(CCN2CCOCC2)C(=O)Nc3cccnc3
Canonical SMILESCACTVS3.385 Clc1cccc(c1)N(CCN2CCOCC2)C(=O)Nc3cccnc3
Canonical SMILESOpenEye OEToolkits2.0.7 c1cc(cc(c1)Cl)N(CCN2CCOCC2)C(=O)Nc3cccnc3
InChIInChI1.06 InChI=1S/C18H21ClN4O2/c19-15-3-1-5-17(13-15)23(8-7-22-9-11-25-12-10-22)18(24)21-16-4-2-6-20-14-16/h1-6,13-14H,7-12H2,(H,21,24)
InChIKeyInChI1.06 MLWZGJVGRRIOOY-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 156907266