1-(4-chlorophenyl)-3-hydroxy-2H-quinazolin-4-one

C14H11ClN2O2 — CID 23054883

IUPAC1-(4-chlorophenyl)-3-hydroxy-2H-quinazolin-4-one
SMILESO=C1c2ccccc2N(c2ccc(Cl)cc2)CN1O
InChIInChI=1S/C14H11ClN2O2/c15-10-5-7-11(8-6-10)16-9-17(19)14(18)12-3-1-2-4-13(12)16/h1-8,19H,9H2
InChIKeyWQCRYGUQROIYGF-UHFFFAOYSA-N
MW274.71 g/mol
LogP3.28
Rot. Bonds1

About 1-(4-chlorophenyl)-3-hydroxy-2H-quinazolin-4-one

1-(4-chlorophenyl)-3-hydroxy-2H-quinazolin-4-one (PubChem CID 23054883) has the molecular formula C14H11ClN2O2 and a molecular weight of 274.71 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-hydroxy-2H-quinazolin-4-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-hydroxy-2H-quinazolin-4-one
PubChem CID23054883
Molecular FormulaC14H11ClN2O2
Molecular Weight274.71 g/mol
Exact Mass274.05
IUPAC Name1-(4-chlorophenyl)-3-hydroxy-2H-quinazolin-4-one
SMILESO=C1c2ccccc2N(c2ccc(Cl)cc2)CN1O
InChIInChI=1S/C14H11ClN2O2/c15-10-5-7-11(8-6-10)16-9-17(19)14(18)12-3-1-2-4-13(12)16/h1-8,19H,9H2
InChIKeyWQCRYGUQROIYGF-UHFFFAOYSA-N
XLogP3.28
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}

Analyze 1-(4-chlorophenyl)-3-hydroxy-2H-quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-hydroxy-2H-quinazolin-4-one?
The IUPAC name of 1-(4-chlorophenyl)-3-hydroxy-2H-quinazolin-4-one (CID 23054883) is 1-(4-chlorophenyl)-3-hydroxy-2H-quinazolin-4-one.
What is the SMILES notation for 1-(4-chlorophenyl)-3-hydroxy-2H-quinazolin-4-one?
The canonical SMILES for 1-(4-chlorophenyl)-3-hydroxy-2H-quinazolin-4-one is O=C1c2ccccc2N(c2ccc(Cl)cc2)CN1O.
What is the InChIKey of 1-(4-chlorophenyl)-3-hydroxy-2H-quinazolin-4-one?
The InChIKey is WQCRYGUQROIYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O2/c15-10-5-7-11(8-6-10)16-9-17(19)14(18)12-3-1-2-4-13(12)16/h1-8,19H,9H2.
What are the key properties of 1-(4-chlorophenyl)-3-hydroxy-2H-quinazolin-4-one?
1-(4-chlorophenyl)-3-hydroxy-2H-quinazolin-4-one has a molecular weight of 274.71 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-hydroxy-2H-quinazolin-4-one is sourced from PubChem (CID 23054883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).