YQT

3-pyridin-4-yl-1~{H}-pyrrolo[3,2-g]isoquinoline

Created:	2023-12-11
Last modified:	2024-03-06

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1 entries where YQT is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	0
Bond Count	33
Aromatic Bond Count	21

2D diagram of YQT

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Chemical Component Summary
Name	3-pyridin-4-yl-1~{H}-pyrrolo[3,2-g]isoquinoline
Systematic Name (OpenEye OEToolkits)	3-pyridin-4-yl-1~{H}-pyrrolo[3,2-g]isoquinoline
Formula	C₁₆ H₁₁ N₃
Molecular Weight	245.279
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	[nH]1cc(c2ccncc2)c3cc4ccncc4cc13
SMILES	OpenEye OEToolkits	2.0.7	c1cnccc1c2c[nH]c3c2cc4ccncc4c3
Canonical SMILES	CACTVS	3.385	[nH]1cc(c2ccncc2)c3cc4ccncc4cc13
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cnccc1c2c[nH]c3c2cc4ccncc4c3
InChI	InChI	1.06	InChI=1S/C16H11N3/c1-4-17-5-2-11(1)15-10-19-16-8-13-9-18-6-3-12(13)7-14(15)16/h1-10,19H
InChIKey	InChI	1.06	DFIYULDPYGDCHT-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	170855701

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.