7JF

7-fluoranyl-5,6-bis(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one

Created:	2016-11-02
Last modified:	2021-03-13

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1 entries where 7JF is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	0
Bond Count	41
Aromatic Bond Count	18

2D diagram of 7JF

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Chemical Component Summary
Name	7-fluoranyl-5,6-bis(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one
Synonyms	7-fluoro-5,6-bis(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one
Systematic Name (OpenEye OEToolkits)	7-fluoranyl-5,6-bis(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one
Formula	C₂₀ H₁₁ F₃ N₂ O₂
Molecular Weight	368.309
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Oc1c(F)c(c2ccc(F)cc2)c(c3ccc(F)cc3)c4C(=O)NC=Nc14
SMILES	OpenEye OEToolkits	2.0.6	c1cc(ccc1c2c(c(c(c3c2C(=O)NC=N3)O)F)c4ccc(cc4)F)F
Canonical SMILES	CACTVS	3.385	Oc1c(F)c(c2ccc(F)cc2)c(c3ccc(F)cc3)c4C(=O)NC=Nc14
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1cc(ccc1c2c(c(c(c3c2C(=O)NC=N3)O)F)c4ccc(cc4)F)F
InChI	InChI	1.03	InChI=1S/C20H11F3N2O2/c21-12-5-1-10(2-6-12)14-15(11-3-7-13(22)8-4-11)17(23)19(26)18-16(14)20(27)25-9-24-18/h1-9,26H,(H,24,25,27)
InChIKey	InChI	1.03	TXLMFDIODMWHDL-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	90257620, 135567264

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