Basic information
- Standard SMILES
CN1C(=O)CCc2cccc(N3CCN(CCCCOc4ccc5c(n4)NC(=O)CC5)CC3)c21- InChIKey
XGPYNHVSESPJSU-UHFFFAOYSA-N- Molecular formula
- C26H33N5O3
- Average molar mass
- 463.6 g/mol
Names & identifiers
- Preferred name
- 7-{4-[4-(1-Methyl-2-oxo-1,2,3,4-tetrahydro-quinolin-8-yl)-piperazin-1-yl]-butoxy}-3,4-dihydro-1H-[1,8]naphthyridin-2-one
- IUPAC
- 7-[4-[4-(1-methyl-2-oxo-3,4-dihydroquinolin-8-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
Names & synonyms
SCHEMBL5369089XGPYNHVSESPJSU-UHFFFAOYSA-N7-{4-[4-(1-Methyl-2-oxo-1,2,3,4-tetrahydro-quinolin-8-yl)-piperazin-1-yl]-butoxy}-3,4-dihydro-1H-[1,8]naphthyridin-2-one
Database identifiers
- PubChem CID
- 21073496
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 78 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 713
Related reactions
2 records
Compound notes
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