6-(4-benzoylanilino)quinazoline-5,8-dione

C21H13N3O3 — CID 132547133

IUPAC6-(4-benzoylanilino)quinazoline-5,8-dione
SMILESO=C(c1ccccc1)c1ccc(NC2=CC(=O)c3ncncc3C2=O)cc1
InChIInChI=1S/C21H13N3O3/c25-18-10-17(21(27)16-11-22-12-23-19(16)18)24-15-8-6-14(7-9-15)20(26)13-4-2-1-3-5-13/h1-12,24H
InChIKeyPHAAGLFDGHGORP-UHFFFAOYSA-N
MW355.35 g/mol
LogP3.08
Rot. Bonds4

About 6-(4-benzoylanilino)quinazoline-5,8-dione

6-(4-benzoylanilino)quinazoline-5,8-dione (PubChem CID 132547133) has the molecular formula C21H13N3O3 and a molecular weight of 355.35 g/mol. Its IUPAC name is 6-(4-benzoylanilino)quinazoline-5,8-dione.

Molecular Properties

Compound Name6-(4-benzoylanilino)quinazoline-5,8-dione
PubChem CID132547133
Molecular FormulaC21H13N3O3
Molecular Weight355.35 g/mol
Exact Mass355.10
IUPAC Name6-(4-benzoylanilino)quinazoline-5,8-dione
SMILESO=C(c1ccccc1)c1ccc(NC2=CC(=O)c3ncncc3C2=O)cc1
InChIInChI=1S/C21H13N3O3/c25-18-10-17(21(27)16-11-22-12-23-19(16)18)24-15-8-6-14(7-9-15)20(26)13-4-2-1-3-5-13/h1-12,24H
InChIKeyPHAAGLFDGHGORP-UHFFFAOYSA-N
XLogP3.08
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-benzoylanilino)quinazoline-5,8-dione?
The IUPAC name of 6-(4-benzoylanilino)quinazoline-5,8-dione (CID 132547133) is 6-(4-benzoylanilino)quinazoline-5,8-dione.
What is the SMILES notation for 6-(4-benzoylanilino)quinazoline-5,8-dione?
The canonical SMILES for 6-(4-benzoylanilino)quinazoline-5,8-dione is O=C(c1ccccc1)c1ccc(NC2=CC(=O)c3ncncc3C2=O)cc1.
What is the InChIKey of 6-(4-benzoylanilino)quinazoline-5,8-dione?
The InChIKey is PHAAGLFDGHGORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13N3O3/c25-18-10-17(21(27)16-11-22-12-23-19(16)18)24-15-8-6-14(7-9-15)20(26)13-4-2-1-3-5-13/h1-12,24H.
What are the key properties of 6-(4-benzoylanilino)quinazoline-5,8-dione?
6-(4-benzoylanilino)quinazoline-5,8-dione has a molecular weight of 355.35 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-benzoylanilino)quinazoline-5,8-dione is sourced from PubChem (CID 132547133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).