quinazoline-4,8-dione

C8H4N2O2 — CID 67262045

IUPACquinazoline-4,8-dione
SMILESO=C1C=CC=C2C(=O)N=CN=C12
InChIInChI=1S/C8H4N2O2/c11-6-3-1-2-5-7(6)9-4-10-8(5)12/h1-4H
InChIKeyRIUZYNHZYGDGGM-UHFFFAOYSA-N
MW160.13 g/mol
LogP0.06
Rot. Bonds

About quinazoline-4,8-dione

quinazoline-4,8-dione (PubChem CID 67262045) has the molecular formula C8H4N2O2 and a molecular weight of 160.13 g/mol. Its IUPAC name is quinazoline-4,8-dione.

Molecular Properties

Compound Namequinazoline-4,8-dione
PubChem CID67262045
Molecular FormulaC8H4N2O2
Molecular Weight160.13 g/mol
Exact Mass160.03
IUPAC Namequinazoline-4,8-dione
SMILESO=C1C=CC=C2C(=O)N=CN=C12
InChIInChI=1S/C8H4N2O2/c11-6-3-1-2-5-7(6)9-4-10-8(5)12/h1-4H
InChIKeyRIUZYNHZYGDGGM-UHFFFAOYSA-N
XLogP0.06
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.13
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'chinone_2', 'substructure': 'N/A'}

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Related Compounds

Phenanthridine-6,10-dione
CID 21892184
Quinazolin-8(4h)-one
CID 88162307
6-fluoro-8H-quinazolin-4-one
CID 90734363
8-fluoro-8H-quinazolin-4-one
CID 76845720
Isoquinoline-1,5-dione
CID 21836090
Quinazoline-4,6-dione
CID 54272177
6-chloro-8H-quinazolin-4-one
CID 91196558
6-iodo-8H-quinazolin-4-one
CID 91423193
8-Methylidenequinazolin-4-one
CID 71304104
6-Methylidenequinazolin-4-one
CID 73795355
8-(Oxomethylidene)quinazolin-4-one
CID 74659851
2-Methylquinazoline-4,8-dione
CID 75017403

Frequently Asked Questions

What is the IUPAC name of quinazoline-4,8-dione?
The IUPAC name of quinazoline-4,8-dione (CID 67262045) is quinazoline-4,8-dione.
What is the SMILES notation for quinazoline-4,8-dione?
The canonical SMILES for quinazoline-4,8-dione is O=C1C=CC=C2C(=O)N=CN=C12.
What is the InChIKey of quinazoline-4,8-dione?
The InChIKey is RIUZYNHZYGDGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4N2O2/c11-6-3-1-2-5-7(6)9-4-10-8(5)12/h1-4H.
What are the key properties of quinazoline-4,8-dione?
quinazoline-4,8-dione has a molecular weight of 160.13 g/mol, XLogP of 0.06, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for quinazoline-4,8-dione is sourced from PubChem (CID 67262045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).