10-butyl-3-methylpyrimido[4,5-b]quinoline-2,4(3H,10H)-dione
Basic information
- CAS
59997-16-9- Standard SMILES
CCCCn1c2nc(=O)n(C)c(=O)c-2cc2ccccc21- InChIKey
WZHOKCUFDKOZGY-UHFFFAOYSA-N- Molecular formula
- C16H17N3O2
- Average molar mass
- 283.32 g/mol
- Monoisotopic mass
- 283.13207679
Names & identifiers
- Preferred name
- 10-butyl-3-methylpyrimido[4,5-b]quinoline-2,4(3H,10H)-dione
- IUPAC
- 10-butyl-3-methylpyrimido[4,5-b]quinoline-2,4-dione
Names & synonyms
CHEMBL51147959997-16-9NSC278162DTXSID4031388810-butyl-3-methylpyrimido[4,5-b]quinoline-2,4(3H,10H)-dioneBDBM50479235NSC-278162Pyrimido[4,4(3H,10H)-dione, 10-butyl-3-methyl-
Database identifiers
- CAS
59997-16-9- PubChem CID
- 322150
- DTXSID
DTXSID40313888- ChEMBL
CHEMBL511479
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 53 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 524
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Related reactions
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Compound notes
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