9OM

7-({[3-(4-methylpyridin-3-yl)propyl]amino}methyl)quinolin-2-amine

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

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2 entries where 9OM is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	45
Chiral Atom Count	0
Bond Count	47
Aromatic Bond Count	17

2D diagram of 9OM

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Chemical Component Summary
Name	7-({[3-(4-methylpyridin-3-yl)propyl]amino}methyl)quinolin-2-amine
Systematic Name (OpenEye OEToolkits)	7-[[3-(4-methylpyridin-3-yl)propylamino]methyl]quinolin-2-amine
Formula	C₁₉ H₂₂ N₄
Molecular Weight	306.405
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Nc1ccc2c(n1)cc(cc2)CNCCCc3c(C)ccnc3
SMILES	CACTVS	3.385	Cc1ccncc1CCCNCc2ccc3ccc(N)nc3c2
SMILES	OpenEye OEToolkits	2.0.6	Cc1ccncc1CCCNCc2ccc3ccc(nc3c2)N
Canonical SMILES	CACTVS	3.385	Cc1ccncc1CCCNCc2ccc3ccc(N)nc3c2
Canonical SMILES	OpenEye OEToolkits	2.0.6	Cc1ccncc1CCCNCc2ccc3ccc(nc3c2)N
InChI	InChI	1.03	InChI=1S/C19H22N4/c1-14-8-10-22-13-17(14)3-2-9-21-12-15-4-5-16-6-7-19(20)23-18(16)11-15/h4-8,10-11,13,21H,2-3,9,12H2,1H3,(H2,20,23)
InChIKey	InChI	1.03	DURWIDBNTFVYBY-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL4092616
PubChem	124145849
ChEMBL	CHEMBL4092616

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.