9P1

7-[({[4-(dimethylamino)phenyl]methyl}amino)methyl]quinolin-2-amine

Created:	2017-05-24
Last modified:	2017-08-16

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2 entries where 9P1 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 9P1

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Chemical Component Summary
Name	7-[({[4-(dimethylamino)phenyl]methyl}amino)methyl]quinolin-2-amine
Systematic Name (OpenEye OEToolkits)	7-[[[4-(dimethylamino)phenyl]methylamino]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	c3(N)ccc2ccc(CNCc1ccc(cc1)N(C)C)cc2n3
SMILES	CACTVS	3.385	CN(C)c1ccc(CNCc2ccc3ccc(N)nc3c2)cc1
SMILES	OpenEye OEToolkits	2.0.6	CN(C)c1ccc(cc1)CNCc2ccc3ccc(nc3c2)N
Canonical SMILES	CACTVS	3.385	CN(C)c1ccc(CNCc2ccc3ccc(N)nc3c2)cc1
Canonical SMILES	OpenEye OEToolkits	2.0.6	CN(C)c1ccc(cc1)CNCc2ccc3ccc(nc3c2)N
InChI	InChI	1.03	InChI=1S/C19H22N4/c1-23(2)17-8-4-14(5-9-17)12-21-13-15-3-6-16-7-10-19(20)22-18(16)11-15/h3-11,21H,12-13H2,1-2H3,(H2,20,22)
InChIKey	InChI	1.03	JEOSSXMVBYPUED-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL4078323
PubChem	121262516
ChEMBL	CHEMBL4078323

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