9AQ

2-(4-ethoxyphenyl)-3~{H}-quinazolin-4-one

Created:	2017-05-04
Last modified:	2018-03-14

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1 entries where 9AQ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	34
Chiral Atom Count	0
Bond Count	36
Aromatic Bond Count	12

2D diagram of 9AQ

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Chemical Component Summary
Name	2-(4-ethoxyphenyl)-3~{H}-quinazolin-4-one
Systematic Name (OpenEye OEToolkits)	2-(4-ethoxyphenyl)-3~{H}-quinazolin-4-one
Formula	C₁₆ H₁₄ N₂ O₂
Molecular Weight	266.295
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCOc1ccc(cc1)C2=Nc3ccccc3C(=O)N2
SMILES	OpenEye OEToolkits	2.0.6	CCOc1ccc(cc1)C2=Nc3ccccc3C(=O)N2
Canonical SMILES	CACTVS	3.385	CCOc1ccc(cc1)C2=Nc3ccccc3C(=O)N2
Canonical SMILES	OpenEye OEToolkits	2.0.6	CCOc1ccc(cc1)C2=Nc3ccccc3C(=O)N2
InChI	InChI	1.03	InChI=1S/C16H14N2O2/c1-2-20-12-9-7-11(8-10-12)15-17-14-6-4-3-5-13(14)16(19)18-15/h3-10H,2H2,1H3,(H,17,18,19)
InChIKey	InChI	1.03	SCZPZJODHBFEBR-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	135567247, 12935009
ChEMBL	CHEMBL3289384

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.