3-(5-chlorofuran-2-yl)-6-hydroxy-1H-quinazoline-2,4-dione

C12H7ClN2O4 — CID 117261298

IUPAC3-(5-chlorofuran-2-yl)-6-hydroxy-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2ccc(O)cc2c(=O)n1-c1ccc(Cl)o1
InChIInChI=1S/C12H7ClN2O4/c13-9-3-4-10(19-9)15-11(17)7-5-6(16)1-2-8(7)14-12(15)18/h1-5,16H,(H,14,18)
InChIKeyAKPIMSHPDNNIAT-UHFFFAOYSA-N
MW278.65 g/mol
LogP1.63
Rot. Bonds1

About 3-(5-chlorofuran-2-yl)-6-hydroxy-1H-quinazoline-2,4-dione

3-(5-chlorofuran-2-yl)-6-hydroxy-1H-quinazoline-2,4-dione (PubChem CID 117261298) has the molecular formula C12H7ClN2O4 and a molecular weight of 278.65 g/mol. Its IUPAC name is 3-(5-chlorofuran-2-yl)-6-hydroxy-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-(5-chlorofuran-2-yl)-6-hydroxy-1H-quinazoline-2,4-dione
PubChem CID117261298
Molecular FormulaC12H7ClN2O4
Molecular Weight278.65 g/mol
Exact Mass278.01
IUPAC Name3-(5-chlorofuran-2-yl)-6-hydroxy-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2ccc(O)cc2c(=O)n1-c1ccc(Cl)o1
InChIInChI=1S/C12H7ClN2O4/c13-9-3-4-10(19-9)15-11(17)7-5-6(16)1-2-8(7)14-12(15)18/h1-5,16H,(H,14,18)
InChIKeyAKPIMSHPDNNIAT-UHFFFAOYSA-N
XLogP1.63
TPSA88.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.65
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorofuran-2-yl)-6-hydroxy-1H-quinazoline-2,4-dione?
The IUPAC name of 3-(5-chlorofuran-2-yl)-6-hydroxy-1H-quinazoline-2,4-dione (CID 117261298) is 3-(5-chlorofuran-2-yl)-6-hydroxy-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-(5-chlorofuran-2-yl)-6-hydroxy-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-(5-chlorofuran-2-yl)-6-hydroxy-1H-quinazoline-2,4-dione is O=c1[nH]c2ccc(O)cc2c(=O)n1-c1ccc(Cl)o1.
What is the InChIKey of 3-(5-chlorofuran-2-yl)-6-hydroxy-1H-quinazoline-2,4-dione?
The InChIKey is AKPIMSHPDNNIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN2O4/c13-9-3-4-10(19-9)15-11(17)7-5-6(16)1-2-8(7)14-12(15)18/h1-5,16H,(H,14,18).
What are the key properties of 3-(5-chlorofuran-2-yl)-6-hydroxy-1H-quinazoline-2,4-dione?
3-(5-chlorofuran-2-yl)-6-hydroxy-1H-quinazoline-2,4-dione has a molecular weight of 278.65 g/mol, XLogP of 1.63, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorofuran-2-yl)-6-hydroxy-1H-quinazoline-2,4-dione is sourced from PubChem (CID 117261298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).