ML6

7-({[3-(3-fluorophenyl)propyl]amino}methyl)quinolin-2-amine

Created:	2013-10-09
Last modified:	2014-02-19

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2 entries where ML6 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	43
Chiral Atom Count	0
Bond Count	45
Aromatic Bond Count	17

2D diagram of ML6

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Chemical Component Summary
Name	7-({[3-(3-fluorophenyl)propyl]amino}methyl)quinolin-2-amine
Systematic Name (OpenEye OEToolkits)	7-[[3-(3-fluorophenyl)propylamino]methyl]quinolin-2-amine
Formula	C₁₉ H₂₀ F N₃
Molecular Weight	309.381
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Fc1cccc(c1)CCCNCc2cc3nc(ccc3cc2)N
SMILES	CACTVS	3.385	Nc1ccc2ccc(CNCCCc3cccc(F)c3)cc2n1
SMILES	OpenEye OEToolkits	1.7.6	c1cc(cc(c1)F)CCCNCc2ccc3ccc(nc3c2)N
Canonical SMILES	CACTVS	3.385	Nc1ccc2ccc(CNCCCc3cccc(F)c3)cc2n1
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cc(cc(c1)F)CCCNCc2ccc3ccc(nc3c2)N
InChI	InChI	1.03	InChI=1S/C19H20FN3/c20-17-5-1-3-14(11-17)4-2-10-22-13-15-6-7-16-8-9-19(21)23-18(16)12-15/h1,3,5-9,11-12,22H,2,4,10,13H2,(H2,21,23)
InChIKey	InChI	1.03	QIPUHKWELQSESM-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	72771080
ChEMBL	CHEMBL3139608

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