XH8

7-(((3-(PYRIDIN-3-YL)PROPYL)AMINO)METHYL)QUINOLIN-2-

Created:	2016-06-18
Last modified:	2016-09-21

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4 entries where XH8 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	42
Chiral Atom Count	0
Bond Count	44
Aromatic Bond Count	17

2D diagram of XH8

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Chemical Component Summary
Name	7-(((3-(PYRIDIN-3-YL)PROPYL)AMINO)METHYL)QUINOLIN-2-
Systematic Name (OpenEye OEToolkits)	7-[(3-pyridin-3-ylpropylamino)methyl]quinolin-2-amine
Formula	C₁₈ H₂₀ N₄
Molecular Weight	292.378
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Nc1ccc2ccc(CNCCCc3cccnc3)cc2n1
SMILES	OpenEye OEToolkits	1.7.6	c1cc(cnc1)CCCNCc2ccc3ccc(nc3c2)N
Canonical SMILES	CACTVS	3.385	Nc1ccc2ccc(CNCCCc3cccnc3)cc2n1
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cc(cnc1)CCCNCc2ccc3ccc(nc3c2)N
InChI	InChI	1.03	InChI=1S/C18H20N4/c19-18-8-7-16-6-5-15(11-17(16)22-18)13-21-10-2-4-14-3-1-9-20-12-14/h1,3,5-9,11-12,21H,2,4,10,13H2,(H2,19,22)
InChIKey	InChI	1.03	SYLCHGGIDVOGEK-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL4071836
PubChem	121596957
ChEMBL	CHEMBL4071836

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