8-fluoro-3-thiophen-2-yl-1H-quinazoline-2,4-dione

C12H7FN2O2S — CID 117261846

IUPAC8-fluoro-3-thiophen-2-yl-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2c(F)cccc2c(=O)n1-c1cccs1
InChIInChI=1S/C12H7FN2O2S/c13-8-4-1-3-7-10(8)14-12(17)15(11(7)16)9-5-2-6-18-9/h1-6H,(H,14,17)
InChIKeyDKMSMKBBNWTTKO-UHFFFAOYSA-N
MW262.26 g/mol
LogP1.88
Rot. Bonds1

About 8-fluoro-3-thiophen-2-yl-1H-quinazoline-2,4-dione

8-fluoro-3-thiophen-2-yl-1H-quinazoline-2,4-dione (PubChem CID 117261846) has the molecular formula C12H7FN2O2S and a molecular weight of 262.26 g/mol. Its IUPAC name is 8-fluoro-3-thiophen-2-yl-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name8-fluoro-3-thiophen-2-yl-1H-quinazoline-2,4-dione
PubChem CID117261846
Molecular FormulaC12H7FN2O2S
Molecular Weight262.26 g/mol
Exact Mass262.02
IUPAC Name8-fluoro-3-thiophen-2-yl-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2c(F)cccc2c(=O)n1-c1cccs1
InChIInChI=1S/C12H7FN2O2S/c13-8-4-1-3-7-10(8)14-12(17)15(11(7)16)9-5-2-6-18-9/h1-6H,(H,14,17)
InChIKeyDKMSMKBBNWTTKO-UHFFFAOYSA-N
XLogP1.88
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-fluoro-3-(4-fluorophenyl)-1H-quinazoline-2,4-dione
CID 117261980
7-hydroxy-3-thiophen-2-yl-1H-benzimidazol-2-one
CID 117206617
3-(4-chlorophenyl)-8-fluoro-1H-quinazoline-2,4-dione
CID 117261981
7-fluoro-3-thiophen-2-yl-1H-quinazoline-2,4-dione
CID 117261558
8-fluoro-3-(3-hydroxyphenyl)-1H-quinazoline-2,4-dione
CID 117261934
3-(2-aminoethyl)-8-fluoro-1H-quinazoline-2,4-dione
CID 117263314
6-methoxy-3-thiophen-2-yl-1H-quinazoline-2,4-dione
CID 117261301
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-cyclopropyl-8-fluoro-2-sulfanylidene-1H-quinazolin-4-one
CID 114588895
8-methoxy-3-(5-methylthiophen-2-yl)-1H-quinazoline-2,4-dione
CID 117261861
2-(3-fluorophenyl)-8-oxo-9-thiophen-2-yl-7H-purine-6-carboxamide
CID 7519811
8-fluoro-1H-quinazoline-2,4-dione
CID 10080993

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-3-thiophen-2-yl-1H-quinazoline-2,4-dione?
The IUPAC name of 8-fluoro-3-thiophen-2-yl-1H-quinazoline-2,4-dione (CID 117261846) is 8-fluoro-3-thiophen-2-yl-1H-quinazoline-2,4-dione.
What is the SMILES notation for 8-fluoro-3-thiophen-2-yl-1H-quinazoline-2,4-dione?
The canonical SMILES for 8-fluoro-3-thiophen-2-yl-1H-quinazoline-2,4-dione is O=c1[nH]c2c(F)cccc2c(=O)n1-c1cccs1.
What is the InChIKey of 8-fluoro-3-thiophen-2-yl-1H-quinazoline-2,4-dione?
The InChIKey is DKMSMKBBNWTTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FN2O2S/c13-8-4-1-3-7-10(8)14-12(17)15(11(7)16)9-5-2-6-18-9/h1-6H,(H,14,17).
What are the key properties of 8-fluoro-3-thiophen-2-yl-1H-quinazoline-2,4-dione?
8-fluoro-3-thiophen-2-yl-1H-quinazoline-2,4-dione has a molecular weight of 262.26 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-3-thiophen-2-yl-1H-quinazoline-2,4-dione is sourced from PubChem (CID 117261846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).