Basic information
- Standard SMILES
CC(=O)c1cccc(N2CCN(CCCCOc3ccc4c(n3)NC(=O)CC4)CC2)c1Cl- InChIKey
HWCWWDUFNPMUDX-UHFFFAOYSA-N- Molecular formula
- C24H29ClN4O3
- Average molar mass
- 457 g/mol
- Monoisotopic mass
- 456.1928185
Names & identifiers
- Preferred name
- 7-{4-[4-(3-Acetyl-2-chloro-phenyl)-piperazin-1-yl]-butoxy}-3,4-dihydro-1H-[1,8]naphthyridin-2-one
- IUPAC
- 7-[4-[4-(3-acetyl-2-chlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
Names & synonyms
SCHEMBL5363303HWCWWDUFNPMUDX-UHFFFAOYSA-N7-{4-[4-(3-Acetyl-2-chloro-phenyl)-piperazin-1-yl]-butoxy}-3,4-dihydro-1H-[1,8]naphthyridin-2-one
Database identifiers
- PubChem CID
- 21073649
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 643
Related reactions
2 records
Compound notes
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