8F7

3-[2-(2-amino-4-methylquinolin-7-yl)ethyl]-5-[(methylamino)methyl]benzonitrile

Created:	2017-02-02
Last modified:	2017-05-03

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1 entries where 8F7 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	47
Chiral Atom Count	0
Bond Count	49
Aromatic Bond Count	17

2D diagram of 8F7

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Chemical Component Summary
Name	3-[2-(2-amino-4-methylquinolin-7-yl)ethyl]-5-[(methylamino)methyl]benzonitrile
Systematic Name (OpenEye OEToolkits)	3-[2-(2-azanyl-4-methyl-quinolin-7-yl)ethyl]-5-(methylaminomethyl)benzenecarbonitrile
Formula	C₂₁ H₂₂ N₄
Molecular Weight	330.426
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N#Cc1cc(CNC)cc(c1)CCc2cc3c(cc2)c(cc(N)n3)C
SMILES	CACTVS	3.385	CNCc1cc(CCc2ccc3c(C)cc(N)nc3c2)cc(c1)C#N
SMILES	OpenEye OEToolkits	2.0.6	Cc1cc(nc2c1ccc(c2)CCc3cc(cc(c3)C#N)CNC)N
Canonical SMILES	CACTVS	3.385	CNCc1cc(CCc2ccc3c(C)cc(N)nc3c2)cc(c1)C#N
Canonical SMILES	OpenEye OEToolkits	2.0.6	Cc1cc(nc2c1ccc(c2)CCc3cc(cc(c3)C#N)CNC)N
InChI	InChI	1.03	InChI=1S/C21H22N4/c1-14-7-21(23)25-20-11-15(5-6-19(14)20)3-4-16-8-17(12-22)10-18(9-16)13-24-2/h5-11,24H,3-4,13H2,1-2H3,(H2,23,25)
InChIKey	InChI	1.03	RWCOIXDPXHFMEG-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	124136899
ChEMBL	CHEMBL4117287

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