5-amino-7-methyl-1H-pyrimido[4,5-b]quinoline-2,4-dione
Basic information
- CAS
26908-33-8- Standard SMILES
Cc1ccc2nc3[nH]c(=O)[nH]c(=O)c3c(N)c2c1- InChIKey
VJSWEDKWSLMQEC-UHFFFAOYSA-N- Molecular formula
- C12H10N4O2
- Average molar mass
- 242.23 g/mol
- Monoisotopic mass
- 242.08037557
Names & identifiers
- Preferred name
- 5-amino-7-methyl-1H-pyrimido[4,5-b]quinoline-2,4-dione
- IUPAC
- 5-amino-7-methyl-1H-pyrimido[4,5-b]quinoline-2,4-dione
Names & synonyms
MLS00269510326908-33-8NSC92266NCIOpen2_005847CHEMBL1713265DTXSID20418885HMS3079K17NSC-92266SMR0015610155-Amino-7-methylpyrimido[4,5-b]quinoline-2,4(1H,3H)-dione
Database identifiers
- CAS
26908-33-8- PubChem CID
- 5380347
- DTXSID
DTXSID20418885- ChEMBL
CHEMBL1713265
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 97.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 386
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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