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

C14H8ClFN2O2 — CID 117261981

IUPAC3-(4-chlorophenyl)-8-fluoro-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2c(F)cccc2c(=O)n1-c1ccc(Cl)cc1
InChIInChI=1S/C14H8ClFN2O2/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)
InChIKeyGVYRWCHBRSOODH-UHFFFAOYSA-N
MW290.68 g/mol
LogP2.47
Rot. Bonds1

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

3-(4-chlorophenyl)-8-fluoro-1H-quinazoline-2,4-dione (PubChem CID 117261981) has the molecular formula C14H8ClFN2O2 and a molecular weight of 290.68 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-8-fluoro-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-(4-chlorophenyl)-8-fluoro-1H-quinazoline-2,4-dione
PubChem CID117261981
Molecular FormulaC14H8ClFN2O2
Molecular Weight290.68 g/mol
Exact Mass290.03
IUPAC Name3-(4-chlorophenyl)-8-fluoro-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2c(F)cccc2c(=O)n1-c1ccc(Cl)cc1
InChIInChI=1S/C14H8ClFN2O2/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)
InChIKeyGVYRWCHBRSOODH-UHFFFAOYSA-N
XLogP2.47
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.68
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-fluoro-3-(4-fluorophenyl)-1H-quinazoline-2,4-dione
CID 117261980
8-fluoro-3-(3-hydroxyphenyl)-1H-quinazoline-2,4-dione
CID 117261934
3-(4-chlorophenyl)-7-hydroxy-1H-benzimidazol-2-one
CID 117206903
8-fluoro-3-thiophen-2-yl-1H-quinazoline-2,4-dione
CID 117261846
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
3-(4-chlorophenyl)-5-hydroxy-1H-quinazoline-2,4-dione
CID 117261144
3-(4-chlorophenyl)-7-fluoro-1H-benzimidazole-2-thione
CID 60788639
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
8-chloro-3-(2-chlorophenyl)-1H-quinazoline-2,4-dione
CID 117261960

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-8-fluoro-1H-quinazoline-2,4-dione?
The IUPAC name of 3-(4-chlorophenyl)-8-fluoro-1H-quinazoline-2,4-dione (CID 117261981) is 3-(4-chlorophenyl)-8-fluoro-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-(4-chlorophenyl)-8-fluoro-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-(4-chlorophenyl)-8-fluoro-1H-quinazoline-2,4-dione is O=c1[nH]c2c(F)cccc2c(=O)n1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-8-fluoro-1H-quinazoline-2,4-dione?
The InChIKey is GVYRWCHBRSOODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClFN2O2/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 3-(4-chlorophenyl)-8-fluoro-1H-quinazoline-2,4-dione?
3-(4-chlorophenyl)-8-fluoro-1H-quinazoline-2,4-dione has a molecular weight of 290.68 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-8-fluoro-1H-quinazoline-2,4-dione is sourced from PubChem (CID 117261981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).