8J7

4-methyl-7-(2-{3-[(methylamino)methyl]phenyl}ethyl)quinolin-2-amine

Created:	2017-02-09
Last modified:	2017-05-03

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1 entries where 8J7 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	46
Chiral Atom Count	0
Bond Count	48
Aromatic Bond Count	17

2D diagram of 8J7

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Chemical Component Summary
Name	4-methyl-7-(2-{3-[(methylamino)methyl]phenyl}ethyl)quinolin-2-amine
Systematic Name (OpenEye OEToolkits)	4-methyl-7-[2-[3-(methylaminomethyl)phenyl]ethyl]quinolin-2-amine
Formula	C₂₀ H₂₃ N₃
Molecular Weight	305.417
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c31nc(N)cc(C)c1ccc(CCc2cc(ccc2)CNC)c3
SMILES	CACTVS	3.385	CNCc1cccc(CCc2ccc3c(C)cc(N)nc3c2)c1
SMILES	OpenEye OEToolkits	2.0.6	Cc1cc(nc2c1ccc(c2)CCc3cccc(c3)CNC)N
Canonical SMILES	CACTVS	3.385	CNCc1cccc(CCc2ccc3c(C)cc(N)nc3c2)c1
Canonical SMILES	OpenEye OEToolkits	2.0.6	Cc1cc(nc2c1ccc(c2)CCc3cccc(c3)CNC)N
InChI	InChI	1.03	InChI=1S/C20H23N3/c1-14-10-20(21)23-19-12-16(8-9-18(14)19)7-6-15-4-3-5-17(11-15)13-22-2/h3-5,8-12,22H,6-7,13H2,1-2H3,(H2,21,23)
InChIKey	InChI	1.03	VJMAXFIJCSRVHO-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	124136847
ChEMBL	CHEMBL4117027

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