Q7Q

6-(2-methoxyethoxy)-11-methyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one

Created:	2020-05-26
Last modified:	2020-06-03

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2 entries where Q7Q is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	60
Chiral Atom Count	0
Bond Count	63
Aromatic Bond Count	16

2D diagram of Q7Q

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Chemical Component Summary
Name	6-(2-methoxyethoxy)-11-methyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one
Formula	C₂₂ H₂₈ N₆ O₄
Molecular Weight	440.496
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	COCCOc1ccc2Nc3ncnc4[nH]cc(CNCCCN(C)C(=O)COc1c2)c34
SMILES	OpenEye OEToolkits	2.0.7	CN1CCCNCc2c[nH]c3c2c(ncn3)Nc4ccc(c(c4)OCC1=O)OCCOC
Canonical SMILES	CACTVS	3.385	COCCOc1ccc2Nc3ncnc4[nH]cc(CNCCCN(C)C(=O)COc1c2)c34
Canonical SMILES	OpenEye OEToolkits	2.0.7	CN1CCCNCc2c[nH]c3c2c(ncn3)Nc4ccc(c(c4)OCC1=O)OCCOC
InChI	InChI	1.03	InChI=1S/C22H28N6O4/c1-28-7-3-6-23-11-15-12-24-21-20(15)22(26-14-25-21)27-16-4-5-17(31-9-8-30-2)18(10-16)32-13-19(28)29/h4-5,10,12,14,23H,3,6-9,11,13H2,1-2H3,(H2,24,25,26,27)
InChIKey	InChI	1.03	MPVLMOBPNHBSRH-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	59442288

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.