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

C14H9FN2O3 — CID 117261934

IUPAC8-fluoro-3-(3-hydroxyphenyl)-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2c(F)cccc2c(=O)n1-c1cccc(O)c1
InChIInChI=1S/C14H9FN2O3/c15-11-6-2-5-10-12(11)16-14(20)17(13(10)19)8-3-1-4-9(18)7-8/h1-7,18H,(H,16,20)
InChIKeyRMVABQCNHHPXJZ-UHFFFAOYSA-N
MW272.24 g/mol
LogP1.52
Rot. Bonds1

About 8-fluoro-3-(3-hydroxyphenyl)-1H-quinazoline-2,4-dione

8-fluoro-3-(3-hydroxyphenyl)-1H-quinazoline-2,4-dione (PubChem CID 117261934) has the molecular formula C14H9FN2O3 and a molecular weight of 272.24 g/mol. Its IUPAC name is 8-fluoro-3-(3-hydroxyphenyl)-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name8-fluoro-3-(3-hydroxyphenyl)-1H-quinazoline-2,4-dione
PubChem CID117261934
Molecular FormulaC14H9FN2O3
Molecular Weight272.24 g/mol
Exact Mass272.06
IUPAC Name8-fluoro-3-(3-hydroxyphenyl)-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2c(F)cccc2c(=O)n1-c1cccc(O)c1
InChIInChI=1S/C14H9FN2O3/c15-11-6-2-5-10-12(11)16-14(20)17(13(10)19)8-3-1-4-9(18)7-8/h1-7,18H,(H,16,20)
InChIKeyRMVABQCNHHPXJZ-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

8-fluoro-3-(4-fluorophenyl)-1H-quinazoline-2,4-dione
CID 117261980
3-(4-chlorophenyl)-8-fluoro-1H-quinazoline-2,4-dione
CID 117261981
8-fluoro-3-thiophen-2-yl-1H-quinazoline-2,4-dione
CID 117261846
4-(3-hydroxyphenyl)-1,2,4-triazolidine-3,5-dione
CID 107409889
8-bromo-3-phenyl-1H-quinazoline-2,4-dione
CID 117261927
3-(2-aminoethyl)-8-fluoro-1H-quinazoline-2,4-dione
CID 117263314
8-methoxy-3-(3-methylphenyl)-1H-quinazoline-2,4-dione
CID 117261941
3-[2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-8-fluoro-1H-quinazoline-2,4-dione
CID 123575951
5-fluoro-3-(4-hydroxyphenyl)-1H-quinazoline-2,4-dione
CID 117261137
3-(3-hydroxyphenyl)-4-methyl-1H-benzimidazol-2-one
CID 117209156
3-(3-chlorophenyl)-7-hydroxy-1H-benzimidazol-2-one
CID 117206820
5-fluoro-3-(3-methylphenyl)-1H-quinazoline-2,4-dione
CID 4093447

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-3-(3-hydroxyphenyl)-1H-quinazoline-2,4-dione?
The IUPAC name of 8-fluoro-3-(3-hydroxyphenyl)-1H-quinazoline-2,4-dione (CID 117261934) is 8-fluoro-3-(3-hydroxyphenyl)-1H-quinazoline-2,4-dione.
What is the SMILES notation for 8-fluoro-3-(3-hydroxyphenyl)-1H-quinazoline-2,4-dione?
The canonical SMILES for 8-fluoro-3-(3-hydroxyphenyl)-1H-quinazoline-2,4-dione is O=c1[nH]c2c(F)cccc2c(=O)n1-c1cccc(O)c1.
What is the InChIKey of 8-fluoro-3-(3-hydroxyphenyl)-1H-quinazoline-2,4-dione?
The InChIKey is RMVABQCNHHPXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O3/c15-11-6-2-5-10-12(11)16-14(20)17(13(10)19)8-3-1-4-9(18)7-8/h1-7,18H,(H,16,20).
What are the key properties of 8-fluoro-3-(3-hydroxyphenyl)-1H-quinazoline-2,4-dione?
8-fluoro-3-(3-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 8-fluoro-3-(3-hydroxyphenyl)-1H-quinazoline-2,4-dione is sourced from PubChem (CID 117261934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).