5-chloro-3-(5-chlorofuran-2-yl)-1H-quinazoline-2,4-dione

C12H6Cl2N2O3 — CID 117260994

IUPAC5-chloro-3-(5-chlorofuran-2-yl)-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2cccc(Cl)c2c(=O)n1-c1ccc(Cl)o1
InChIInChI=1S/C12H6Cl2N2O3/c13-6-2-1-3-7-10(6)11(17)16(12(18)15-7)9-5-4-8(14)19-9/h1-5H,(H,15,18)
InChIKeyGDVONOPKBNCEPL-UHFFFAOYSA-N
MW297.10 g/mol
LogP2.58
Rot. Bonds1

About 5-chloro-3-(5-chlorofuran-2-yl)-1H-quinazoline-2,4-dione

5-chloro-3-(5-chlorofuran-2-yl)-1H-quinazoline-2,4-dione (PubChem CID 117260994) has the molecular formula C12H6Cl2N2O3 and a molecular weight of 297.10 g/mol. Its IUPAC name is 5-chloro-3-(5-chlorofuran-2-yl)-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name5-chloro-3-(5-chlorofuran-2-yl)-1H-quinazoline-2,4-dione
PubChem CID117260994
Molecular FormulaC12H6Cl2N2O3
Molecular Weight297.10 g/mol
Exact Mass295.98
IUPAC Name5-chloro-3-(5-chlorofuran-2-yl)-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2cccc(Cl)c2c(=O)n1-c1ccc(Cl)o1
InChIInChI=1S/C12H6Cl2N2O3/c13-6-2-1-3-7-10(6)11(17)16(12(18)15-7)9-5-4-8(14)19-9/h1-5H,(H,15,18)
InChIKeyGDVONOPKBNCEPL-UHFFFAOYSA-N
XLogP2.58
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.10
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-chlorofuran-2-yl)-5-hydroxy-1H-quinazoline-2,4-dione
CID 117261005
3-(5-chlorofuran-2-yl)-6-hydroxy-1H-quinazoline-2,4-dione
CID 117261298
3-(aminomethyl)-5-chloro-1H-quinazoline-2,4-dione
CID 117262244
3-(1-aminoethyl)-5-chloro-1H-quinazoline-2,4-dione
CID 117262250
3-(4-chlorophenyl)-5-hydroxy-1H-quinazoline-2,4-dione
CID 117261144
5-chloro-3-(1,1-dioxothiolan-3-yl)-1H-quinazoline-2,4-dione
CID 117260913
3,4,5-trichloro-1H-quinolin-2-one
CID 142762208
2-[3-(5-chloro-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-N-(naphthalen-1-ylmethyl)acetamide
CID 23119786
4-chloro-3-(4-fluorophenyl)-1H-benzimidazol-2-one
CID 117209251
5-chloro-3-[3-(3,4-dihydro-2H-quinolin-1-ylsulfinyl)phenyl]-1H-quinazoline-2,4-dione
CID 147678966
4-bromo-3-(5-methylfuran-2-yl)-1H-benzimidazol-2-one
CID 117208956
3-(4-chloro-1,3-benzothiazol-2-yl)-1H-quinazoline-2,4-dione
CID 2754474

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(5-chlorofuran-2-yl)-1H-quinazoline-2,4-dione?
The IUPAC name of 5-chloro-3-(5-chlorofuran-2-yl)-1H-quinazoline-2,4-dione (CID 117260994) is 5-chloro-3-(5-chlorofuran-2-yl)-1H-quinazoline-2,4-dione.
What is the SMILES notation for 5-chloro-3-(5-chlorofuran-2-yl)-1H-quinazoline-2,4-dione?
The canonical SMILES for 5-chloro-3-(5-chlorofuran-2-yl)-1H-quinazoline-2,4-dione is O=c1[nH]c2cccc(Cl)c2c(=O)n1-c1ccc(Cl)o1.
What is the InChIKey of 5-chloro-3-(5-chlorofuran-2-yl)-1H-quinazoline-2,4-dione?
The InChIKey is GDVONOPKBNCEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2N2O3/c13-6-2-1-3-7-10(6)11(17)16(12(18)15-7)9-5-4-8(14)19-9/h1-5H,(H,15,18).
What are the key properties of 5-chloro-3-(5-chlorofuran-2-yl)-1H-quinazoline-2,4-dione?
5-chloro-3-(5-chlorofuran-2-yl)-1H-quinazoline-2,4-dione has a molecular weight of 297.10 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(5-chlorofuran-2-yl)-1H-quinazoline-2,4-dione is sourced from PubChem (CID 117260994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).