8-fluoro-1H-quinazoline-2,4-dione

C8H5FN2O2 — CID 10080993

IUPAC8-fluoro-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c(=O)c2cccc(F)c2[nH]1
InChIInChI=1S/C8H5FN2O2/c9-5-3-1-2-4-6(5)10-8(13)11-7(4)12/h1-3H,(H2,10,11,12,13)
InChIKeyFWGXKHUKBVXXCD-UHFFFAOYSA-N
MW180.14 g/mol
LogP0.36
Rot. Bonds

About 8-fluoro-1H-quinazoline-2,4-dione

8-fluoro-1H-quinazoline-2,4-dione (PubChem CID 10080993) has the molecular formula C8H5FN2O2 and a molecular weight of 180.14 g/mol. Its IUPAC name is 8-fluoro-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name8-fluoro-1H-quinazoline-2,4-dione
PubChem CID10080993
Molecular FormulaC8H5FN2O2
Molecular Weight180.14 g/mol
Exact Mass180.03
IUPAC Name8-fluoro-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c(=O)c2cccc(F)c2[nH]1
InChIInChI=1S/C8H5FN2O2/c9-5-3-1-2-4-6(5)10-8(13)11-7(4)12/h1-3H,(H2,10,11,12,13)
InChIKeyFWGXKHUKBVXXCD-UHFFFAOYSA-N
XLogP0.36
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.14
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Quinazolinedione
CID 64048
3-(2-chloroethyl)(1H,3H)quinazoline-2,4-dione
CID 78766
3-Hydroxy-1,2,3,4-tetrahydroquinazoline-2,4-dione
CID 220188
2-Mercapto-3-phenylquinazolin-4(3H)-one
CID 680914
3-Propyl-1,2,3,4-tetrahydroquinazoline-2,4-dione
CID 4344644
2-Mercapto-4(3H)-quinazolinone
CID 683940
Glycosmicine
CID 11788
2,3-Dihydro-2-methyl-4(1H)-quinazolinone
CID 14807234
3-Allyl-2-mercapto-3H-quinazolin-4-one
CID 657947
3-Amino-1H-quinazoline-2,4-dione
CID 968929
5-Fluoro-1-[4-(4-phenyl-3,6-dihydropyridin-1(2H)-YL)butyl]quinazoline-2,4(1H,3H)-dione
CID 448890
1,3-Dimethyl-2,4(1H,3H)-quinazolinedione
CID 101217

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-1H-quinazoline-2,4-dione?
The IUPAC name of 8-fluoro-1H-quinazoline-2,4-dione (CID 10080993) is 8-fluoro-1H-quinazoline-2,4-dione.
What is the SMILES notation for 8-fluoro-1H-quinazoline-2,4-dione?
The canonical SMILES for 8-fluoro-1H-quinazoline-2,4-dione is O=c1[nH]c(=O)c2cccc(F)c2[nH]1.
What is the InChIKey of 8-fluoro-1H-quinazoline-2,4-dione?
The InChIKey is FWGXKHUKBVXXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FN2O2/c9-5-3-1-2-4-6(5)10-8(13)11-7(4)12/h1-3H,(H2,10,11,12,13).
What are the key properties of 8-fluoro-1H-quinazoline-2,4-dione?
8-fluoro-1H-quinazoline-2,4-dione has a molecular weight of 180.14 g/mol, XLogP of 0.36, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-1H-quinazoline-2,4-dione is sourced from PubChem (CID 10080993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).