MQ0

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

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

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1 entries where MQ0 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	48
Chiral Atom Count	0
Bond Count	51
Aromatic Bond Count	23

2D diagram of MQ0

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Chemical Component Summary
Name	4-(3,3-diphenylpropylamino)cinnoline-3-carbonitrile
Systematic Name (OpenEye OEToolkits)	4-(3,3-diphenylpropylamino)cinnoline-3-carbonitrile
Formula	C₂₄ H₂₀ N₄
Molecular Weight	364.442
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	N#Cc1nnc2ccccc2c1NCCC(c3ccccc3)c4ccccc4
SMILES	OpenEye OEToolkits	2.0.6	c1ccc(cc1)C(CCNc2c3ccccc3nnc2C#N)c4ccccc4
Canonical SMILES	CACTVS	3.385	N#Cc1nnc2ccccc2c1NCCC(c3ccccc3)c4ccccc4
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1ccc(cc1)C(CCNc2c3ccccc3nnc2C#N)c4ccccc4
InChI	InChI	1.03	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)
InChIKey	InChI	1.03	OKYZTEUAKHHRRB-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB02882
Name	Cyanocinnoline
Groups	experimental
Synonyms	Cyanocinnoline

Related Resource References

Resource Name	Reference
PubChem	449484
ChEMBL	CHEMBL42312

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