7-methyl-2,4-dioxo-1H-pyrimido[4,5-b]quinoline-5-carboxylic acid
Basic information
- CAS
26908-29-2- Standard SMILES
Cc1ccc2nc3[nH]c(=O)[nH]c(=O)c3c(C(=O)O)c2c1- InChIKey
MPUXZIFSKWKCPB-UHFFFAOYSA-N- Molecular formula
- C13H9N3O4
- Average molar mass
- 271.23 g/mol
- Monoisotopic mass
- 271.05930578
Names & identifiers
- Preferred name
- 7-methyl-2,4-dioxo-1H-pyrimido[4,5-b]quinoline-5-carboxylic acid
- IUPAC
- 7-methyl-2,4-dioxo-1H-pyrimido[4,5-b]quinoline-5-carboxylic acid
Names & synonyms
NSC9056926908-29-2DTXSID80418866NSC-905697-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimido[4,5-b]quinoline-5-carboxylic acid
Database identifiers
- CAS
26908-29-2- PubChem CID
- 5380233
- DTXSID
DTXSID80418866
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 467
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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