8F1

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

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

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2 entries where 8F1 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	48
Chiral Atom Count	0
Bond Count	50
Aromatic Bond Count	17

2D diagram of 8F1

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Chemical Component Summary
Name	3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[2-(methylamino)ethyl]benzonitrile
Systematic Name (OpenEye OEToolkits)	3-[(2-azanyl-4-methyl-quinolin-7-yl)methoxy]-5-[2-(methylamino)ethyl]benzenecarbonitrile
Formula	C₂₁ H₂₂ N₄ O
Molecular Weight	346.426
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N#Cc1cc(CCNC)cc(c1)OCc2cc3c(cc2)c(cc(N)n3)C
SMILES	CACTVS	3.385	CNCCc1cc(OCc2ccc3c(C)cc(N)nc3c2)cc(c1)C#N
SMILES	OpenEye OEToolkits	2.0.6	Cc1cc(nc2c1ccc(c2)COc3cc(cc(c3)C#N)CCNC)N
Canonical SMILES	CACTVS	3.385	CNCCc1cc(OCc2ccc3c(C)cc(N)nc3c2)cc(c1)C#N
Canonical SMILES	OpenEye OEToolkits	2.0.6	Cc1cc(nc2c1ccc(c2)COc3cc(cc(c3)C#N)CCNC)N
InChI	InChI	1.03	InChI=1S/C21H22N4O/c1-14-7-21(23)25-20-11-16(3-4-19(14)20)13-26-18-9-15(5-6-24-2)8-17(10-18)12-22/h3-4,7-11,24H,5-6,13H2,1-2H3,(H2,23,25)
InChIKey	InChI	1.03	QKCPYJJSYKWGHS-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL4099944
PubChem	124136845
ChEMBL	CHEMBL4099944

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