9OM

7-({[3-(4-methylpyridin-3-yl)propyl]amino}methyl)quinolin-2-amine

Created:2017-05-23
Last modified:  2017-08-16

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Chemical Details

Formal Charge0
Atom Count45
Chiral Atom Count0
Bond Count47
Aromatic Bond Count17
2D diagram of 9OM

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Chemical Component Summary

Name7-({[3-(4-methylpyridin-3-yl)propyl]amino}methyl)quinolin-2-amine
Systematic Name (OpenEye OEToolkits)7-[[3-(4-methylpyridin-3-yl)propylamino]methyl]quinolin-2-amine
FormulaC19 H22 N4
Molecular Weight306.405
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Nc1ccc2c(n1)cc(cc2)CNCCCc3c(C)ccnc3
SMILESCACTVS3.385Cc1ccncc1CCCNCc2ccc3ccc(N)nc3c2
SMILESOpenEye OEToolkits2.0.6Cc1ccncc1CCCNCc2ccc3ccc(nc3c2)N
Canonical SMILESCACTVS3.385 Cc1ccncc1CCCNCc2ccc3ccc(N)nc3c2
Canonical SMILESOpenEye OEToolkits2.0.6 Cc1ccncc1CCCNCc2ccc3ccc(nc3c2)N
InChIInChI1.03 InChI=1S/C19H22N4/c1-14-8-10-22-13-17(14)3-2-9-21-12-15-4-5-16-6-7-19(20)23-18(16)11-15/h4-8,10-11,13,21H,2-3,9,12H2,1H3,(H2,20,23)
InChIKeyInChI1.03 DURWIDBNTFVYBY-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL4092616
PubChem 124145849
ChEMBL CHEMBL4092616