MQ0

4-(3,3-diphenylpropylamino)cinnoline-3-carbonitrile

Created:1999-07-28
Last modified:  2019-02-18

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Chemical Details

Formal Charge0
Atom Count48
Chiral Atom Count0
Bond Count51
Aromatic Bond Count23
2D diagram of MQ0

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Chemical Component Summary

Name4-(3,3-diphenylpropylamino)cinnoline-3-carbonitrile
Systematic Name (OpenEye OEToolkits)4-(3,3-diphenylpropylamino)cinnoline-3-carbonitrile
FormulaC24 H20 N4
Molecular Weight364.442
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385N#Cc1nnc2ccccc2c1NCCC(c3ccccc3)c4ccccc4
SMILESOpenEye OEToolkits2.0.6c1ccc(cc1)C(CCNc2c3ccccc3nnc2C#N)c4ccccc4
Canonical SMILESCACTVS3.385 N#Cc1nnc2ccccc2c1NCCC(c3ccccc3)c4ccccc4
Canonical SMILESOpenEye OEToolkits2.0.6 c1ccc(cc1)C(CCNc2c3ccccc3nnc2C#N)c4ccccc4
InChIInChI1.03 InChI=1S/C24H20N4/c25-17-23-24(21-13-7-8-14-22(21)27-28-23)26-16-15-20(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-14,20H,15-16H2,(H,26,27)
InChIKeyInChI1.03 OKYZTEUAKHHRRB-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB02882 
NameCyanocinnoline
Groups experimental
SynonymsCyanocinnoline

Related Resource References

Resource NameReference
PubChem 449484
ChEMBL CHEMBL42312