25F

2-(4-bromophenyl)-3,4-dihydroquinazolin-4-one

Created:	2013-06-20
Last modified:	2013-10-30

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1 entries where 25F is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	0
Bond Count	29
Aromatic Bond Count	12

2D diagram of 25F

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Chemical Component Summary
Name	2-(4-bromophenyl)-3,4-dihydroquinazolin-4-one
Systematic Name (OpenEye OEToolkits)	2-(4-bromophenyl)-3H-quinazolin-4-one
Formula	C₁₄ H₉ Br N₂ O
Molecular Weight	301.138
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Brc3ccc(C2=Nc1c(cccc1)C(=O)N2)cc3
SMILES	CACTVS	3.370	Brc1ccc(cc1)C2=Nc3ccccc3C(=O)N2
SMILES	OpenEye OEToolkits	1.7.6	c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)Br
Canonical SMILES	CACTVS	3.370	Brc1ccc(cc1)C2=Nc3ccccc3C(=O)N2
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)Br
InChI	InChI	1.03	InChI=1S/C14H9BrN2O/c15-10-7-5-9(6-8-10)13-16-12-4-2-1-3-11(12)14(18)17-13/h1-8H,(H,16,17,18)
InChIKey	InChI	1.03	NRCCYFAMXZIJSC-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL2058057
PubChem	789779, 135421564
ChEMBL	CHEMBL2058057
CCDC/CSD	BPHQAZ

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