Basic information
- CAS
63591-80-0- Standard SMILES
O=C(c1cc(N2CCNCC2)nc2ccccc12)N1CCNCC1- InChIKey
HLTSHCCIRHMHNV-UHFFFAOYSA-N- Molecular formula
- C18H23N5O
- Average molar mass
- 325.4 g/mol
- Monoisotopic mass
- 325.19026037
Names & identifiers
- Preferred name
- 1-Piperazinyl[2-(1-piperazinyl)-4-quinolinyl]methanone
- IUPAC
- piperazin-1-yl-(2-piperazin-1-ylquinolin-4-yl)methanone
Names & synonyms
DTXSID0012099881-Piperazinyl[2-(1-piperazinyl)-4-quinolinyl]methanone(Piperazin-1-yl)[2-(piperazin-1-yl)quinolin-4-yl]methanone63591-80-0
Database identifiers
- CAS
63591-80-0- PubChem CID
- 12374012
- DTXSID
DTXSID001209988
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 60.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 433
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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