Basic information
- CAS
88571-60-2- Standard SMILES
CC(Cl)=CCc1c(C)[nH]c2c(ccc3ccccc32)c1=O- InChIKey
LZGLSNOSGGDQJB-UHFFFAOYSA-N- Molecular formula
- C18H16ClNO
- Average molar mass
- 297.8 g/mol
- Monoisotopic mass
- 297.0920418
Names & identifiers
- Preferred name
- 3-(3-chlorobut-2-enyl)-2-methyl-1H-benzo[h]quinolin-4-one
- IUPAC
- 3-(3-chlorobut-2-enyl)-2-methyl-1H-benzo[h]quinolin-4-one
Names & synonyms
GNF-Pf-481188571-60-2TCMDC-124085CHEMBL532545DTXSID603892223-(3-Chlorobut-2-en-1-yl)-2-methylbenzo[h]quinolin-4(1H)-one
Database identifiers
- CAS
88571-60-2- PubChem CID
- 3100728
- DTXSID
DTXSID60389222- ChEMBL
CHEMBL532545
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 493
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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