Basic information
- Standard SMILES
O=C1CCc2cc(/C=C/C(=O)N3CCC(CCO)CC3)cnc2N1- InChIKey
WYKRWRKJVRDEPC-DAFODLJHSA-N- Molecular formula
- C18H23N3O3
- Average molar mass
- 329.4 g/mol
- Monoisotopic mass
- 329.1739416
Names & identifiers
- Preferred name
- 6-{(1E)-3-[4-(2-Hydroxyethyl)piperidin-1-yl]-3-oxoprop-1-en-1-yl}-3,4-dihydro-1,8-naphthyridin-2(1H)-one
- IUPAC
- 6-[(E)-3-[4-(2-hydroxyethyl)piperidin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
Names & synonyms
CHEMBL3676397SCHEMBL13519154WYKRWRKJVRDEPC-DAFODLJHSA-NBDBM133660US8846711, 46-{(1E)-3-[4-(2-Hydroxyethyl)piperidin-1-yl]-3-oxoprop-1-en-1-yl}-3,4-dihydro-1,8-naphthyridin-2(1H)-one
Database identifiers
- PubChem CID
- 52950436
- ChEMBL
CHEMBL3676397
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 82.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 486
Related reactions
3 records
Compound notes
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