7-(4-chlorophenyl)-3-hydroxy-1H-quinazoline-2,4-dione

C14H9ClN2O3 — CID 134815745

IUPAC7-(4-chlorophenyl)-3-hydroxy-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2cc(-c3ccc(Cl)cc3)ccc2c(=O)n1O
InChIInChI=1S/C14H9ClN2O3/c15-10-4-1-8(2-5-10)9-3-6-11-12(7-9)16-14(19)17(20)13(11)18/h1-7,20H,(H,16,19)
InChIKeyMAQKASXLGRLZSN-UHFFFAOYSA-N
MW288.69 g/mol
LogP2.25
Rot. Bonds1

About 7-(4-chlorophenyl)-3-hydroxy-1H-quinazoline-2,4-dione

7-(4-chlorophenyl)-3-hydroxy-1H-quinazoline-2,4-dione (PubChem CID 134815745) has the molecular formula C14H9ClN2O3 and a molecular weight of 288.69 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-3-hydroxy-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name7-(4-chlorophenyl)-3-hydroxy-1H-quinazoline-2,4-dione
PubChem CID134815745
Molecular FormulaC14H9ClN2O3
Molecular Weight288.69 g/mol
Exact Mass288.03
IUPAC Name7-(4-chlorophenyl)-3-hydroxy-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2cc(-c3ccc(Cl)cc3)ccc2c(=O)n1O
InChIInChI=1S/C14H9ClN2O3/c15-10-4-1-8(2-5-10)9-3-6-11-12(7-9)16-14(19)17(20)13(11)18/h1-7,20H,(H,16,19)
InChIKeyMAQKASXLGRLZSN-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-3-hydroxy-1H-quinazoline-2,4-dione?
The IUPAC name of 7-(4-chlorophenyl)-3-hydroxy-1H-quinazoline-2,4-dione (CID 134815745) is 7-(4-chlorophenyl)-3-hydroxy-1H-quinazoline-2,4-dione.
What is the SMILES notation for 7-(4-chlorophenyl)-3-hydroxy-1H-quinazoline-2,4-dione?
The canonical SMILES for 7-(4-chlorophenyl)-3-hydroxy-1H-quinazoline-2,4-dione is O=c1[nH]c2cc(-c3ccc(Cl)cc3)ccc2c(=O)n1O.
What is the InChIKey of 7-(4-chlorophenyl)-3-hydroxy-1H-quinazoline-2,4-dione?
The InChIKey is MAQKASXLGRLZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O3/c15-10-4-1-8(2-5-10)9-3-6-11-12(7-9)16-14(19)17(20)13(11)18/h1-7,20H,(H,16,19).
What are the key properties of 7-(4-chlorophenyl)-3-hydroxy-1H-quinazoline-2,4-dione?
7-(4-chlorophenyl)-3-hydroxy-1H-quinazoline-2,4-dione has a molecular weight of 288.69 g/mol, XLogP of 2.25, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-3-hydroxy-1H-quinazoline-2,4-dione is sourced from PubChem (CID 134815745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).