Basic information
- Standard SMILES
CC(=O)c1cccc(N2CCN(CCCCOc3ccc4ccc(=O)[nH]c4n3)CC2)c1Cl- InChIKey
XRIRVQVYTPAJBP-UHFFFAOYSA-N- Molecular formula
- C24H27ClN4O3
- Average molar mass
- 454.9 g/mol
Names & identifiers
- Preferred name
- 7-{4-[4-(3-Acetyl-2-chloro-phenyl)-piperazin-1-yl]-butoxy}-1H-[1,8]naphthyridin-2-one
- IUPAC
- 7-[4-[4-(3-acetyl-2-chlorophenyl)piperazin-1-yl]butoxy]-1H-1,8-naphthyridin-2-one
Names & synonyms
SCHEMBL5371430XRIRVQVYTPAJBP-UHFFFAOYSA-N7-{4-[4-(3-Acetyl-2-chloro-phenyl)-piperazin-1-yl]-butoxy}-1H-[1,8]naphthyridin-2-one
Database identifiers
- PubChem CID
- 21073648
Properties
Computed structural properties
- XLogP
- 3.6
- 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
- 682
Related reactions
2 records
Compound notes
Loading…