7KZ

N4-(1-methylpiperidin-4-yl)-N2-hexyl-6,7-dimethoxyquinazoline-2,4-diamine

Created:	2016-11-07
Last modified:	2021-03-13

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2 entries where 7KZ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	64
Chiral Atom Count	0
Bond Count	66
Aromatic Bond Count	11

2D diagram of 7KZ

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Chemical Component Summary
Name	N4-(1-methylpiperidin-4-yl)-N2-hexyl-6,7-dimethoxyquinazoline-2,4-diamine
Synonyms	N~2~-hexyl-6,7-dimethoxy-N~4~-(1-methylpiperidin-4-yl)quinazoline-2,4-diamine
Systematic Name (OpenEye OEToolkits)	~{N}2-hexyl-6,7-dimethoxy-~{N}4-(1-methylpiperidin-4-yl)quinazoline-2,4-diamine
Formula	C₂₂ H₃₅ N₅ O₂
Molecular Weight	401.546
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C(CCCC)CNc3nc(NC1CCN(C)CC1)c2cc(c(OC)cc2n3)OC
SMILES	CACTVS	3.385	CCCCCCNc1nc(NC2CCN(C)CC2)c3cc(OC)c(OC)cc3n1
SMILES	OpenEye OEToolkits	2.0.6	CCCCCCNc1nc2cc(c(cc2c(n1)NC3CCN(CC3)C)OC)OC
Canonical SMILES	CACTVS	3.385	CCCCCCNc1nc(NC2CCN(C)CC2)c3cc(OC)c(OC)cc3n1
Canonical SMILES	OpenEye OEToolkits	2.0.6	CCCCCCNc1nc2cc(c(cc2c(n1)NC3CCN(CC3)C)OC)OC
InChI	InChI	1.03	InChI=1S/C22H35N5O2/c1-5-6-7-8-11-23-22-25-18-15-20(29-4)19(28-3)14-17(18)21(26-22)24-16-9-12-27(2)13-10-16/h14-16H,5-13H2,1-4H3,(H2,23,24,25,26)
InChIKey	InChI	1.03	ZYNUWSFRZCRKSN-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL4086403
PubChem	137348638
ChEMBL	CHEMBL4086403

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.