2ZI

8-methyl-2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one

Created:	2015-03-19
Last modified:	2016-04-13

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1 entries where 2ZI is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	0
Bond Count	35
Aromatic Bond Count	12

2D diagram of 2ZI

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Chemical Component Summary
Name	8-methyl-2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one
Systematic Name (OpenEye OEToolkits)	8-methyl-2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one
Formula	C₁₆ H₁₁ F₃ N₂ O
Molecular Weight	304.267
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1cccc2C(=O)NC(=Nc12)c3ccc(cc3)C(F)(F)F
SMILES	OpenEye OEToolkits	1.7.6	Cc1cccc2c1N=C(NC2=O)c3ccc(cc3)C(F)(F)F
Canonical SMILES	CACTVS	3.385	Cc1cccc2C(=O)NC(=Nc12)c3ccc(cc3)C(F)(F)F
Canonical SMILES	OpenEye OEToolkits	1.7.6	Cc1cccc2c1N=C(NC2=O)c3ccc(cc3)C(F)(F)F
InChI	InChI	1.03	InChI=1S/C16H11F3N2O/c1-9-3-2-4-12-13(9)20-14(21-15(12)22)10-5-7-11(8-6-10)16(17,18)19/h2-8H,1H3,(H,20,21,22)
InChIKey	InChI	1.03	GDPZGQDEZJRADO-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL346886
PubChem	135456762, 10685907
ChEMBL	CHEMBL346886

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