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

C14H8F2N2O2 — CID 117261980

IUPAC8-fluoro-3-(4-fluorophenyl)-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2c(F)cccc2c(=O)n1-c1ccc(F)cc1
InChIInChI=1S/C14H8F2N2O2/c15-8-4-6-9(7-5-8)18-13(19)10-2-1-3-11(16)12(10)17-14(18)20/h1-7H,(H,17,20)
InChIKeyUZBWVRIZSRKANS-UHFFFAOYSA-N
MW274.23 g/mol
LogP1.96
Rot. Bonds1

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

8-fluoro-3-(4-fluorophenyl)-1H-quinazoline-2,4-dione (PubChem CID 117261980) has the molecular formula C14H8F2N2O2 and a molecular weight of 274.23 g/mol. Its IUPAC name is 8-fluoro-3-(4-fluorophenyl)-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name8-fluoro-3-(4-fluorophenyl)-1H-quinazoline-2,4-dione
PubChem CID117261980
Molecular FormulaC14H8F2N2O2
Molecular Weight274.23 g/mol
Exact Mass274.06
IUPAC Name8-fluoro-3-(4-fluorophenyl)-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2c(F)cccc2c(=O)n1-c1ccc(F)cc1
InChIInChI=1S/C14H8F2N2O2/c15-8-4-6-9(7-5-8)18-13(19)10-2-1-3-11(16)12(10)17-14(18)20/h1-7H,(H,17,20)
InChIKeyUZBWVRIZSRKANS-UHFFFAOYSA-N
XLogP1.96
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-8-fluoro-1H-quinazoline-2,4-dione
CID 117261981
8-fluoro-3-(3-hydroxyphenyl)-1H-quinazoline-2,4-dione
CID 117261934
8-fluoro-3-thiophen-2-yl-1H-quinazoline-2,4-dione
CID 117261846
8-bromo-3-phenyl-1H-quinazoline-2,4-dione
CID 117261927
7-chloro-3-(4-fluorophenyl)-1H-benzimidazol-2-one
CID 117206889
3-(2-aminoethyl)-8-fluoro-1H-quinazoline-2,4-dione
CID 117263314
3-(4-methoxyphenyl)-8-methyl-1H-quinazoline-2,4-dione
CID 117261977
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-(4-chlorophenyl)-7-hydroxy-1H-benzimidazol-2-one
CID 117206903
8-methoxy-3-(3-methylphenyl)-1H-quinazoline-2,4-dione
CID 117261941
8-fluoro-1H-quinazoline-2,4-dione
CID 10080993

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-3-(4-fluorophenyl)-1H-quinazoline-2,4-dione?
The IUPAC name of 8-fluoro-3-(4-fluorophenyl)-1H-quinazoline-2,4-dione (CID 117261980) is 8-fluoro-3-(4-fluorophenyl)-1H-quinazoline-2,4-dione.
What is the SMILES notation for 8-fluoro-3-(4-fluorophenyl)-1H-quinazoline-2,4-dione?
The canonical SMILES for 8-fluoro-3-(4-fluorophenyl)-1H-quinazoline-2,4-dione is O=c1[nH]c2c(F)cccc2c(=O)n1-c1ccc(F)cc1.
What is the InChIKey of 8-fluoro-3-(4-fluorophenyl)-1H-quinazoline-2,4-dione?
The InChIKey is UZBWVRIZSRKANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F2N2O2/c15-8-4-6-9(7-5-8)18-13(19)10-2-1-3-11(16)12(10)17-14(18)20/h1-7H,(H,17,20).
What are the key properties of 8-fluoro-3-(4-fluorophenyl)-1H-quinazoline-2,4-dione?
8-fluoro-3-(4-fluorophenyl)-1H-quinazoline-2,4-dione has a molecular weight of 274.23 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-3-(4-fluorophenyl)-1H-quinazoline-2,4-dione is sourced from PubChem (CID 117261980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).