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

C12H7FN2O2S — CID 117261558

IUPAC7-fluoro-3-thiophen-2-yl-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2cc(F)ccc2c(=O)n1-c1cccs1
InChIInChI=1S/C12H7FN2O2S/c13-7-3-4-8-9(6-7)14-12(17)15(11(8)16)10-2-1-5-18-10/h1-6H,(H,14,17)
InChIKeyVPPCSHHKXBOYLZ-UHFFFAOYSA-N
MW262.26 g/mol
LogP1.88
Rot. Bonds1

About 7-fluoro-3-thiophen-2-yl-1H-quinazoline-2,4-dione

7-fluoro-3-thiophen-2-yl-1H-quinazoline-2,4-dione (PubChem CID 117261558) has the molecular formula C12H7FN2O2S and a molecular weight of 262.26 g/mol. Its IUPAC name is 7-fluoro-3-thiophen-2-yl-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name7-fluoro-3-thiophen-2-yl-1H-quinazoline-2,4-dione
PubChem CID117261558
Molecular FormulaC12H7FN2O2S
Molecular Weight262.26 g/mol
Exact Mass262.02
IUPAC Name7-fluoro-3-thiophen-2-yl-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2cc(F)ccc2c(=O)n1-c1cccs1
InChIInChI=1S/C12H7FN2O2S/c13-7-3-4-8-9(6-7)14-12(17)15(11(8)16)10-2-1-5-18-10/h1-6H,(H,14,17)
InChIKeyVPPCSHHKXBOYLZ-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

Analyze 7-fluoro-3-thiophen-2-yl-1H-quinazoline-2,4-dione with MolForge

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Related Compounds

7-fluoro-3-(furan-2-yl)-1H-quinazoline-2,4-dione
CID 117261551
8-fluoro-3-thiophen-2-yl-1H-quinazoline-2,4-dione
CID 117261846
6-methoxy-3-thiophen-2-yl-1H-quinazoline-2,4-dione
CID 117261301
3-(1,1-dioxothian-4-yl)-7-fluoro-1H-quinazoline-2,4-dione
CID 117261520
7-hydroxy-3-thiophen-2-yl-1H-benzimidazol-2-one
CID 117206617
3-(3-chlorophenyl)-6-fluoro-1H-benzimidazol-2-one
CID 110491173
6-fluoro-3-(4-methylphenyl)-1H-benzimidazol-2-one
CID 110491205
2-(3-fluorophenyl)-8-oxo-9-thiophen-2-yl-7H-purine-6-carboxamide
CID 7519811
3-[1-(4-chlorophenyl)cyclopropyl]-7-fluoro-1H-quinazoline-2,4-dione
CID 118499566
6-fluoro-3-(4-hydroxy-2-methylphenyl)-1H-benzimidazol-2-one
CID 110491210
3-(1,3-thiazol-2-yl)-1H-quinazoline-2,4-dione
CID 91621526
7-amino-3-(2-aminophenyl)-1H-quinazoline-2,4-dione
CID 21275141

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-thiophen-2-yl-1H-quinazoline-2,4-dione?
The IUPAC name of 7-fluoro-3-thiophen-2-yl-1H-quinazoline-2,4-dione (CID 117261558) is 7-fluoro-3-thiophen-2-yl-1H-quinazoline-2,4-dione.
What is the SMILES notation for 7-fluoro-3-thiophen-2-yl-1H-quinazoline-2,4-dione?
The canonical SMILES for 7-fluoro-3-thiophen-2-yl-1H-quinazoline-2,4-dione is O=c1[nH]c2cc(F)ccc2c(=O)n1-c1cccs1.
What is the InChIKey of 7-fluoro-3-thiophen-2-yl-1H-quinazoline-2,4-dione?
The InChIKey is VPPCSHHKXBOYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FN2O2S/c13-7-3-4-8-9(6-7)14-12(17)15(11(8)16)10-2-1-5-18-10/h1-6H,(H,14,17).
What are the key properties of 7-fluoro-3-thiophen-2-yl-1H-quinazoline-2,4-dione?
7-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 7-fluoro-3-thiophen-2-yl-1H-quinazoline-2,4-dione is sourced from PubChem (CID 117261558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).