MEW

2-methylquinazolin-4(3H)-one

Created:	2012-09-19
Last modified:	2013-06-19

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3 entries where MEW is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	20
Chiral Atom Count	0
Bond Count	21
Aromatic Bond Count	6

2D diagram of MEW

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Chemical Component Summary
Name	2-methylquinazolin-4(3H)-one
Systematic Name (OpenEye OEToolkits)	2-methyl-3H-quinazolin-4-one
Formula	C₉ H₈ N₂ O
Molecular Weight	160.173
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1c2ccccc2N=C(N1)C
SMILES	CACTVS	3.370	CC1=Nc2ccccc2C(=O)N1
SMILES	OpenEye OEToolkits	1.7.6	CC1=Nc2ccccc2C(=O)N1
Canonical SMILES	CACTVS	3.370	CC1=Nc2ccccc2C(=O)N1
Canonical SMILES	OpenEye OEToolkits	1.7.6	CC1=Nc2ccccc2C(=O)N1
InChI	InChI	1.03	InChI=1S/C9H8N2O/c1-6-10-8-5-3-2-4-7(8)9(12)11-6/h2-5H,1H3,(H,10,11,12)
InChIKey	InChI	1.03	FIEYHAAMDAPVCH-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	15674, 135400457
ChEMBL	CHEMBL395092
CCDC/CSD	BOLGAK, ACANLC10, RDAVEY

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.