M62

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

Created:	2017-05-23
Last modified:	2017-08-16

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2 entries where M62 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	34
Chiral Atom Count	0
Bond Count	36
Aromatic Bond Count	17

2D diagram of M62

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Chemical Component Summary
Name	7-{[(3-fluorophenyl)amino]methyl}quinolin-2-amine
Systematic Name (OpenEye OEToolkits)	7-[[(3-fluorophenyl)amino]methyl]quinolin-2-amine
Formula	C₁₆ H₁₄ F N₃
Molecular Weight	267.301
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n1c2c(ccc1N)ccc(c2)CNc3cc(ccc3)F
SMILES	CACTVS	3.385	Nc1ccc2ccc(CNc3cccc(F)c3)cc2n1
SMILES	OpenEye OEToolkits	2.0.6	c1cc(cc(c1)F)NCc2ccc3ccc(nc3c2)N
Canonical SMILES	CACTVS	3.385	Nc1ccc2ccc(CNc3cccc(F)c3)cc2n1
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1cc(cc(c1)F)NCc2ccc3ccc(nc3c2)N
InChI	InChI	1.03	InChI=1S/C16H14FN3/c17-13-2-1-3-14(9-13)19-10-11-4-5-12-6-7-16(18)20-15(12)8-11/h1-9,19H,10H2,(H2,18,20)
InChIKey	InChI	1.03	UVVDQBVYPPCDJF-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL4091981
PubChem	118266141
ChEMBL	CHEMBL4091981

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