5-fluoro-6-(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one

C14H8F2N2O2 — CID 136608358

IUPAC5-fluoro-6-(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one
SMILESO=c1[nH]cnc2c(O)cc(-c3ccc(F)cc3)c(F)c12
InChIInChI=1S/C14H8F2N2O2/c15-8-3-1-7(2-4-8)9-5-10(19)13-11(12(9)16)14(20)18-6-17-13/h1-6,19H,(H,17,18,20)
InChIKeyUGXPJYKBYNYOSQ-UHFFFAOYSA-N
MW274.23 g/mol
LogP2.57
Rot. Bonds1

About 5-fluoro-6-(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one

5-fluoro-6-(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one (PubChem CID 136608358) has the molecular formula C14H8F2N2O2 and a molecular weight of 274.23 g/mol. Its IUPAC name is 5-fluoro-6-(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one.

Molecular Properties

Compound Name5-fluoro-6-(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one
PubChem CID136608358
Molecular FormulaC14H8F2N2O2
Molecular Weight274.23 g/mol
Exact Mass274.06
IUPAC Name5-fluoro-6-(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one
SMILESO=c1[nH]cnc2c(O)cc(-c3ccc(F)cc3)c(F)c12
InChIInChI=1S/C14H8F2N2O2/c15-8-3-1-7(2-4-8)9-5-10(19)13-11(12(9)16)14(20)18-6-17-13/h1-6,19H,(H,17,18,20)
InChIKeyUGXPJYKBYNYOSQ-UHFFFAOYSA-N
XLogP2.57
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one?
The IUPAC name of 5-fluoro-6-(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one (CID 136608358) is 5-fluoro-6-(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one.
What is the SMILES notation for 5-fluoro-6-(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one?
The canonical SMILES for 5-fluoro-6-(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one is O=c1[nH]cnc2c(O)cc(-c3ccc(F)cc3)c(F)c12.
What is the InChIKey of 5-fluoro-6-(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one?
The InChIKey is UGXPJYKBYNYOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F2N2O2/c15-8-3-1-7(2-4-8)9-5-10(19)13-11(12(9)16)14(20)18-6-17-13/h1-6,19H,(H,17,18,20).
What are the key properties of 5-fluoro-6-(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one?
5-fluoro-6-(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one has a molecular weight of 274.23 g/mol, XLogP of 2.57, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one is sourced from PubChem (CID 136608358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).