Basic information
- CAS
59997-19-2- Standard SMILES
CCCCn1c2nc(=O)[nH]c(=O)c-2cc2ccccc21- InChIKey
RBQQKCAJWKVRDN-UHFFFAOYSA-N- Molecular formula
- C15H15N3O2
- Average molar mass
- 269.3 g/mol
- Monoisotopic mass
- 269.11642673
Names & identifiers
- Preferred name
- 10-butylpyrimido[4,5-b]quinoline-2,4(3H,10H)-dione
- IUPAC
- 10-butylpyrimido[4,5-b]quinoline-2,4-dione
Names & synonyms
CHEMBL50494259997-19-2NSC27816510-butylpyrimido[4,5-b]quinoline-2,4(3H,10H)-dioneDTXSID70313891BDBM50479238NSC-278165
Database identifiers
- CAS
59997-19-2- PubChem CID
- 322153
- DTXSID
DTXSID70313891- ChEMBL
CHEMBL504942- Nikkaji
- J1.152.101K
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 495
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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