Basic information
- CAS
73077-67-5- Standard SMILES
Cn1c2nc(=O)[nH]c(=O)c-2cc2cc(O)ccc21- InChIKey
RRSLPDHMIFZYOL-UHFFFAOYSA-N- Molecular formula
- C12H9N3O3
- Average molar mass
- 243.22 g/mol
- Monoisotopic mass
- 243.06439116
Names & identifiers
- Preferred name
- 7-Hydroxy-10-methyl-5-deazaisoalloxazine
- IUPAC
- 7-hydroxy-10-methylpyrimido[4,5-b]quinoline-2,4-dione
Names & synonyms
7-Hydroxy-10-methyl-5-deazaisoalloxazine73077-67-5DTXSID30223346Pyrimido(4,5-b)quinoline-2,4(3H,10H)-dione, 7-hydroxy-10-methyl-RefChem:106124DTXCID301458377-hydroxy-10-methylpyrimido[4,5-b]quinoline-2,4(3h,10h)-dione
Database identifiers
- CAS
73077-67-5- PubChem CID
- 192028
- DTXSID
DTXSID30223346
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 82 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 483
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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