Basic information
- CAS
88654-98-2- Standard SMILES
CC(Cl)=CCc1c(C)[nH]c2ccccc2c1=O- InChIKey
HOFQUAXNPCMCQM-UHFFFAOYSA-N- Molecular formula
- C14H14ClNO
- Average molar mass
- 247.72 g/mol
- Monoisotopic mass
- 247.0763918
Names & identifiers
- Preferred name
- 4-Quinolinol, 3-(3-chloro-2-butenyl)-2-methyl-
- IUPAC
- 3-(3-chlorobut-2-enyl)-2-methyl-1H-quinolin-4-one
Names & synonyms
4-Quinolinol, 3-(3-chloro-2-butenyl)-2-methyl-88654-98-2DTXSID20386691RefChem:296307DTXCID103377133-(3-CHLOROBUT-2-EN-1-YL)-2-METHYLQUINOLIN-4-OLSB704892-methyl-3-(3-chloro-2-butenyl)-4-hydroxyquinoline3-(3-Chlorobut-2-en-1-yl)-2-methylquinolin-4(1H)-one
Database identifiers
- CAS
88654-98-2- PubChem CID
- 2869167
- DTXSID
DTXSID20386691
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 384
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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