5-fluoro-3-(4-hydroxyphenyl)-1H-quinazoline-2,4-dione

C14H9FN2O3 — CID 117261137

IUPAC5-fluoro-3-(4-hydroxyphenyl)-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2cccc(F)c2c(=O)n1-c1ccc(O)cc1
InChIInChI=1S/C14H9FN2O3/c15-10-2-1-3-11-12(10)13(19)17(14(20)16-11)8-4-6-9(18)7-5-8/h1-7,18H,(H,16,20)
InChIKeyNXYLMNLMHFKNKR-UHFFFAOYSA-N
MW272.24 g/mol
LogP1.52
Rot. Bonds1

About 5-fluoro-3-(4-hydroxyphenyl)-1H-quinazoline-2,4-dione

5-fluoro-3-(4-hydroxyphenyl)-1H-quinazoline-2,4-dione (PubChem CID 117261137) has the molecular formula C14H9FN2O3 and a molecular weight of 272.24 g/mol. Its IUPAC name is 5-fluoro-3-(4-hydroxyphenyl)-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name5-fluoro-3-(4-hydroxyphenyl)-1H-quinazoline-2,4-dione
PubChem CID117261137
Molecular FormulaC14H9FN2O3
Molecular Weight272.24 g/mol
Exact Mass272.06
IUPAC Name5-fluoro-3-(4-hydroxyphenyl)-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2cccc(F)c2c(=O)n1-c1ccc(O)cc1
InChIInChI=1S/C14H9FN2O3/c15-10-2-1-3-11-12(10)13(19)17(14(20)16-11)8-4-6-9(18)7-5-8/h1-7,18H,(H,16,20)
InChIKeyNXYLMNLMHFKNKR-UHFFFAOYSA-N
XLogP1.52
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.24
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)-5-hydroxy-1H-quinazoline-2,4-dione
CID 117261144
5-fluoro-3-(3-methylphenyl)-1H-quinazoline-2,4-dione
CID 4093447
5-fluoro-3-pyridin-2-yl-1H-quinazoline-2,4-dione
CID 117261022
3-(3-bromo-4-fluorophenyl)-5-fluoro-2-sulfanylidene-1H-quinazolin-4-one
CID 90397242
8-fluoro-3-(4-fluorophenyl)-1H-quinazoline-2,4-dione
CID 117261980
5-methoxy-3-(4-methoxyphenyl)-1H-quinazoline-2,4-dione
CID 117261150
5-fluoro-3-propyl-1H-quinazoline-2,4-dione
CID 117261040
3-(4-chlorophenyl)-8-fluoro-1H-quinazoline-2,4-dione
CID 117261981
5-hydroxy-3-(4-hydroxyphenyl)-1H-benzimidazol-2-one
CID 117208442
3-(2,2-dimethylpropyl)-5-fluoro-1H-quinazoline-2,4-dione
CID 117261046
8-fluoro-3-(3-hydroxyphenyl)-1H-quinazoline-2,4-dione
CID 117261934
ethane;3-(4-methylphenyl)-1H-quinazoline-2,4-dione
CID 91492397

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(4-hydroxyphenyl)-1H-quinazoline-2,4-dione?
The IUPAC name of 5-fluoro-3-(4-hydroxyphenyl)-1H-quinazoline-2,4-dione (CID 117261137) is 5-fluoro-3-(4-hydroxyphenyl)-1H-quinazoline-2,4-dione.
What is the SMILES notation for 5-fluoro-3-(4-hydroxyphenyl)-1H-quinazoline-2,4-dione?
The canonical SMILES for 5-fluoro-3-(4-hydroxyphenyl)-1H-quinazoline-2,4-dione is O=c1[nH]c2cccc(F)c2c(=O)n1-c1ccc(O)cc1.
What is the InChIKey of 5-fluoro-3-(4-hydroxyphenyl)-1H-quinazoline-2,4-dione?
The InChIKey is NXYLMNLMHFKNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O3/c15-10-2-1-3-11-12(10)13(19)17(14(20)16-11)8-4-6-9(18)7-5-8/h1-7,18H,(H,16,20).
What are the key properties of 5-fluoro-3-(4-hydroxyphenyl)-1H-quinazoline-2,4-dione?
5-fluoro-3-(4-hydroxyphenyl)-1H-quinazoline-2,4-dione has a molecular weight of 272.24 g/mol, XLogP of 1.52, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(4-hydroxyphenyl)-1H-quinazoline-2,4-dione is sourced from PubChem (CID 117261137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).