XEB

7-[[4-chloranyl-3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine

Created:	2015-08-21
Last modified:	2015-10-28

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6 entries where XEB is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	41
Chiral Atom Count	0
Bond Count	43
Aromatic Bond Count	17

2D diagram of XEB

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Chemical Component Summary
Name	7-[[4-chloranyl-3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine
Systematic Name (OpenEye OEToolkits)	7-[[4-chloranyl-3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine
Formula	C₁₈ H₁₈ Cl N₃ O
Molecular Weight	327.808
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CNCc1cc(OCc2ccc3ccc(N)nc3c2)ccc1Cl
SMILES	OpenEye OEToolkits	1.7.6	CNCc1cc(ccc1Cl)OCc2ccc3ccc(nc3c2)N
Canonical SMILES	CACTVS	3.385	CNCc1cc(OCc2ccc3ccc(N)nc3c2)ccc1Cl
Canonical SMILES	OpenEye OEToolkits	1.7.6	CNCc1cc(ccc1Cl)OCc2ccc3ccc(nc3c2)N
InChI	InChI	1.03	InChI=1S/C18H18ClN3O/c1-21-10-14-9-15(5-6-16(14)19)23-11-12-2-3-13-4-7-18(20)22-17(13)8-12/h2-9,21H,10-11H2,1H3,(H2,20,22)
InChIKey	InChI	1.03	SVDORCPNIHFYFA-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL3736597
PubChem	91971388
ChEMBL	CHEMBL3736597

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