Basic information
- CAS
24271-82-7- Standard SMILES
O=C1C=CC(=O)c2ncncc21- InChIKey
CHJGEZRKXRTIQA-UHFFFAOYSA-N- Molecular formula
- C8H4N2O2
- Average molar mass
- 160.13 g/mol
- Monoisotopic mass
- 160.02727738
Overview
structure in first source
Names & identifiers
- Preferred name
- 5,8-Quinazolinedione
- IUPAC
- quinazoline-5,8-dione
Names & synonyms
5,8-Quinazolinedione24271-82-7RefChem:101457quinazoline-5,8-dione5,8-dihydroquinazoline-5,8-dioneBRN 0775838quinazoline-5,8-quinone5,?8-?Quinazolinedione5-24-08-00121 (Beilstein Handbook Reference)SCHEMBL6385349TQR939CHEMBL4071350
Show more names
DTXSID70947110AKOS006373185
Database identifiers
- CAS
24271-82-7- PubChem CID
- 212470
- DTXSID
DTXSID70947110- ChEMBL
CHEMBL4071350- Nikkaji
- J2.230.264G
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 59.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 260
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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