6-((3-(4-chlorobenzyl)-1,2,4-oxadiazol-5-yl)methoxy)-3,4-dihydroquinolin-2(1H)-one
Basic information
- Standard SMILES
O=C1CCc2cc(OCc3nc(Cc4ccc(Cl)cc4)no3)ccc2N1- InChIKey
BLTLDTGIMJWEKE-UHFFFAOYSA-N- Molecular formula
- C19H16ClN3O3
- Average molar mass
- 369.8 g/mol
- Monoisotopic mass
- 369.0880191
Names & identifiers
- Preferred name
- 6-((3-(4-chlorobenzyl)-1,2,4-oxadiazol-5-yl)methoxy)-3,4-dihydroquinolin-2(1H)-one
- IUPAC
- 6-[[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one
Names & synonyms
SCHEMBL14816247BLTLDTGIMJWEKE-UHFFFAOYSA-N6-((3-(4-chlorobenzyl)-1,2,4-oxadiazol-5-yl)methoxy)-3,4-dihydroquinolin-2(1H)-one
Database identifiers
- PubChem CID
- 86680433
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 77.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 487
Related reactions
1 records
Compound notes
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