7L6

6,7-dimethoxy-N-(1-methylpiperidin-4-yl)-2-(morpholin-4-yl)quinazolin-4-amine

Created:	2016-11-08
Last modified:	2017-02-22

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2 entries where 7L6 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	57
Chiral Atom Count	0
Bond Count	60
Aromatic Bond Count	11

2D diagram of 7L6

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Chemical Component Summary
Name	6,7-dimethoxy-N-(1-methylpiperidin-4-yl)-2-(morpholin-4-yl)quinazolin-4-amine
Systematic Name (OpenEye OEToolkits)	6,7-dimethoxy-~{N}-(1-methylpiperidin-4-yl)-2-morpholin-4-yl-quinazolin-4-amine
Formula	C₂₀ H₂₉ N₅ O₃
Molecular Weight	387.476
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c12nc(nc(c1cc(c(c2)OC)OC)NC3CCN(CC3)C)N4CCOCC4
SMILES	CACTVS	3.385	COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N4CCOCC4
SMILES	OpenEye OEToolkits	2.0.6	CN1CCC(CC1)Nc2c3cc(c(cc3nc(n2)N4CCOCC4)OC)OC
Canonical SMILES	CACTVS	3.385	COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N4CCOCC4
Canonical SMILES	OpenEye OEToolkits	2.0.6	CN1CCC(CC1)Nc2c3cc(c(cc3nc(n2)N4CCOCC4)OC)OC
InChI	InChI	1.03	InChI=1S/C20H29N5O3/c1-24-6-4-14(5-7-24)21-19-15-12-17(26-2)18(27-3)13-16(15)22-20(23-19)25-8-10-28-11-9-25/h12-14H,4-11H2,1-3H3,(H,21,22,23)
InChIKey	InChI	1.03	MEVMMQQJOXBSAX-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL571717
PubChem	44605026
ChEMBL	CHEMBL571717

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.