7JU

7-fluoranyl-6-(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one

Created:	2016-11-02
Last modified:	2021-03-01

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1 entries where 7JU is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	28
Chiral Atom Count	0
Bond Count	30
Aromatic Bond Count	12

2D diagram of 7JU

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Chemical Component Summary
Name	7-fluoranyl-6-(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one
Synonyms	7-fluoro-6-(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one
Systematic Name (OpenEye OEToolkits)	7-fluoranyl-6-(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one
Formula	C₁₄ H₈ F₂ N₂ O₂
Molecular Weight	274.222
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Oc1c(F)c(cc2C(=O)NC=Nc12)c3ccc(F)cc3
SMILES	OpenEye OEToolkits	2.0.6	c1cc(ccc1c2cc3c(c(c2F)O)N=CNC3=O)F
Canonical SMILES	CACTVS	3.385	Oc1c(F)c(cc2C(=O)NC=Nc12)c3ccc(F)cc3
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1cc(ccc1c2cc3c(c(c2F)O)N=CNC3=O)F
InChI	InChI	1.03	InChI=1S/C14H8F2N2O2/c15-8-3-1-7(2-4-8)9-5-10-12(13(19)11(9)16)17-6-18-14(10)20/h1-6,19H,(H,17,18,20)
InChIKey	InChI	1.03	UPRNZWUAFGVMOP-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	90258104, 135567272

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