1-Benzyl-6-chloro-3-propan-2-ylquinoxalin-2-one
Basic information
- CAS
879145-63-8- Standard SMILES
CC(C)c1nc2cc(Cl)ccc2n(Cc2ccccc2)c1=O- InChIKey
MMMIJGKZYXXNTB-UHFFFAOYSA-N- Molecular formula
- C18H17ClN2O
- Average molar mass
- 312.8 g/mol
- Monoisotopic mass
- 312.1029409
Names & identifiers
- Preferred name
- 1-Benzyl-6-chloro-3-propan-2-ylquinoxalin-2-one
- IUPAC
- 1-benzyl-6-chloro-3-propan-2-ylquinoxalin-2-one
Names & synonyms
1-benzyl-6-chloro-3-propan-2-ylquinoxalin-2-oneMLS001172131CHEMBL1583448DTXSID001320994HMS2905J17AKOS034656442879145-63-8SMR000595383AB00750157-01Z886201951-Benzyl-6-chloro-3-(propan-2-yl)quinoxalin-2(1H)-one
Database identifiers
- CAS
879145-63-8- PubChem CID
- 9507875
- DTXSID
DTXSID001320994- ChEMBL
CHEMBL1583448
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 442
Experimental & physicochemical properties
Solubility0.4 [ug/mL] (The mean of the results at pH 7.4)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…