A1IZ6

2-[4-[(2-pyridin-3-yl-1,3-benzoxazol-6-yl)carbonyl]piperazin-1-yl]-3~{H}-quinazolin-4-one

Created:	2025-01-28
Last modified:	2025-12-10

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1 entries where A1IZ6 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	54
Chiral Atom Count	0
Bond Count	59
Aromatic Bond Count	22

2D diagram of A1IZ6

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Chemical Component Summary
Name	2-[4-[(2-pyridin-3-yl-1,3-benzoxazol-6-yl)carbonyl]piperazin-1-yl]-3~{H}-quinazolin-4-one
Systematic Name (OpenEye OEToolkits)	2-[4-[(2-pyridin-3-yl-1,3-benzoxazol-6-yl)carbonyl]piperazin-1-yl]-3~{H}-quinazolin-4-one
Formula	C₂₅ H₂₀ N₆ O₃
Molecular Weight	452.465
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	O=C1NC(=Nc2ccccc12)N3CCN(CC3)C(=O)c4ccc5nc(oc5c4)c6cccnc6
SMILES	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)C(=O)NC(=N2)N3CCN(CC3)C(=O)c4ccc5c(c4)oc(n5)c6cccnc6
Canonical SMILES	CACTVS	3.385	O=C1NC(=Nc2ccccc12)N3CCN(CC3)C(=O)c4ccc5nc(oc5c4)c6cccnc6
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)C(=O)NC(=N2)N3CCN(CC3)C(=O)c4ccc5c(c4)oc(n5)c6cccnc6
InChI	InChI	1.06	InChI=1S/C25H20N6O3/c32-22-18-5-1-2-6-19(18)28-25(29-22)31-12-10-30(11-13-31)24(33)16-7-8-20-21(14-16)34-23(27-20)17-4-3-9-26-15-17/h1-9,14-15H,10-13H2,(H,28,29,32)
InChIKey	InChI	1.06	NEEKCMPINYYRAZ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	138543389
ChEMBL	CHEMBL5854413

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.