Basic information
- CAS
73077-68-6- Standard SMILES
Cn1c2cc(=O)ccc-2cc2c(=O)[nH]c(=O)[nH]c21- InChIKey
CRCOWBHLRIKIGR-UHFFFAOYSA-N- Molecular formula
- C12H9N3O3
- Average molar mass
- 243.22 g/mol
- Monoisotopic mass
- 243.06439116
Names & identifiers
- Preferred name
- Pyrimido(4,5-b)quinoline-2,4(3H,10H)-dione, 8-hydroxy-10-methyl-
- IUPAC
- 10-methyl-1H-pyrimido[4,5-b]quinoline-2,4,8-trione
Names & synonyms
NSC-3456648-Hydroxy-10-methyl-5-deazaisoalloxazinePyrimido(4,5-b)quinoline-2,4(3H,10H)-dione, 8-hydroxy-10-methyl-Pyrimido[4,5-b]quinoline-2,4(3H,10H)-dione, 8-hydroxy-10-methyl-NSC345664Y38C3A3VXTDTXSID10993838NSC 3456644,8-Dihydroxy-10-methylpyrimido[4,5-b]quinolin-2(10H)-one8-Hydroxy-10-methylpyrimido[4,5-b]quinoline-2,4(3H,10H)-dione
Database identifiers
- CAS
73077-68-6- PubChem CID
- 100685
- DTXSID
DTXSID10993838- UNII
- Y38C3A3VXT
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 78.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 622
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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