quinazoline-2,6-dione

C8H4N2O2 — CID 70471415

IUPACquinazoline-2,6-dione
SMILESO=C1C=CC2=NC(=O)N=CC2=C1
InChIInChI=1S/C8H4N2O2/c11-6-1-2-7-5(3-6)4-9-8(12)10-7/h1-4H
InChIKeyWFLSJUZJZZGMDA-UHFFFAOYSA-N
MW160.13 g/mol
LogP0.70
Rot. Bonds

About quinazoline-2,6-dione

quinazoline-2,6-dione (PubChem CID 70471415) has the molecular formula C8H4N2O2 and a molecular weight of 160.13 g/mol. Its IUPAC name is quinazoline-2,6-dione.

Molecular Properties

Compound Namequinazoline-2,6-dione
PubChem CID70471415
Molecular FormulaC8H4N2O2
Molecular Weight160.13 g/mol
Exact Mass160.03
IUPAC Namequinazoline-2,6-dione
SMILESO=C1C=CC2=NC(=O)N=CC2=C1
InChIInChI=1S/C8H4N2O2/c11-6-1-2-7-5(3-6)4-9-8(12)10-7/h1-4H
InChIKeyWFLSJUZJZZGMDA-UHFFFAOYSA-N
XLogP0.70
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.13
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of quinazoline-2,6-dione?
The IUPAC name of quinazoline-2,6-dione (CID 70471415) is quinazoline-2,6-dione.
What is the SMILES notation for quinazoline-2,6-dione?
The canonical SMILES for quinazoline-2,6-dione is O=C1C=CC2=NC(=O)N=CC2=C1.
What is the InChIKey of quinazoline-2,6-dione?
The InChIKey is WFLSJUZJZZGMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4N2O2/c11-6-1-2-7-5(3-6)4-9-8(12)10-7/h1-4H.
What are the key properties of quinazoline-2,6-dione?
quinazoline-2,6-dione has a molecular weight of 160.13 g/mol, XLogP of 0.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for quinazoline-2,6-dione is sourced from PubChem (CID 70471415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).