Basic information
- Standard SMILES
Cc1nc2ccc(Cl)cn2c(=O)c1CCN1CCN(c2cccc(Cl)c2)CC1- InChIKey
SCRNUACKUBNYHQ-UHFFFAOYSA-N- Molecular formula
- C21H22Cl2N4O
- Average molar mass
- 417.3 g/mol
Names & identifiers
- Preferred name
- 2-Methyl-3-[2-(4-m-chlorophenyl-1-piperazinyl)ethyl]-7-chloro-4H-pyrido[1,2-a]pyrimidin-4-one
- IUPAC
- 7-chloro-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one
Names & synonyms
SCHEMBL11861327SCRNUACKUBNYHQ-UHFFFAOYSA-N2-Methyl-3-[2-(4-m-chlorophenyl-1-piperazinyl)ethyl]-7-chloro-4H-pyrido[1,2-a]pyrimidin-4-one
Database identifiers
- PubChem CID
- 12414855
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 750
Related reactions
2 records
Compound notes
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