3-(4-chlorophenyl)-5-hydroxy-1H-quinazoline-2,4-dione

C14H9ClN2O3 — CID 117261144

IUPAC3-(4-chlorophenyl)-5-hydroxy-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2cccc(O)c2c(=O)n1-c1ccc(Cl)cc1
InChIInChI=1S/C14H9ClN2O3/c15-8-4-6-9(7-5-8)17-13(19)12-10(16-14(17)20)2-1-3-11(12)18/h1-7,18H,(H,16,20)
InChIKeyURAYPDIMXSNJGP-UHFFFAOYSA-N
MW288.69 g/mol
LogP2.04
Rot. Bonds1

About 3-(4-chlorophenyl)-5-hydroxy-1H-quinazoline-2,4-dione

3-(4-chlorophenyl)-5-hydroxy-1H-quinazoline-2,4-dione (PubChem CID 117261144) has the molecular formula C14H9ClN2O3 and a molecular weight of 288.69 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-hydroxy-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-hydroxy-1H-quinazoline-2,4-dione
PubChem CID117261144
Molecular FormulaC14H9ClN2O3
Molecular Weight288.69 g/mol
Exact Mass288.03
IUPAC Name3-(4-chlorophenyl)-5-hydroxy-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2cccc(O)c2c(=O)n1-c1ccc(Cl)cc1
InChIInChI=1S/C14H9ClN2O3/c15-8-4-6-9(7-5-8)17-13(19)12-10(16-14(17)20)2-1-3-11(12)18/h1-7,18H,(H,16,20)
InChIKeyURAYPDIMXSNJGP-UHFFFAOYSA-N
XLogP2.04
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.69
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-hydroxy-1H-quinazoline-2,4-dione?
The IUPAC name of 3-(4-chlorophenyl)-5-hydroxy-1H-quinazoline-2,4-dione (CID 117261144) is 3-(4-chlorophenyl)-5-hydroxy-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-(4-chlorophenyl)-5-hydroxy-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-(4-chlorophenyl)-5-hydroxy-1H-quinazoline-2,4-dione is O=c1[nH]c2cccc(O)c2c(=O)n1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-5-hydroxy-1H-quinazoline-2,4-dione?
The InChIKey is URAYPDIMXSNJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O3/c15-8-4-6-9(7-5-8)17-13(19)12-10(16-14(17)20)2-1-3-11(12)18/h1-7,18H,(H,16,20).
What are the key properties of 3-(4-chlorophenyl)-5-hydroxy-1H-quinazoline-2,4-dione?
3-(4-chlorophenyl)-5-hydroxy-1H-quinazoline-2,4-dione has a molecular weight of 288.69 g/mol, XLogP of 2.04, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-hydroxy-1H-quinazoline-2,4-dione is sourced from PubChem (CID 117261144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).