3-Chloro-1-[4-(3-chloropropanoyl)-2,3-dihydroquinoxalin-1-yl]propan-1-one
Basic information
- CAS
6687-92-9- Standard SMILES
O=C(CCCl)N1CCN(C(=O)CCCl)c2ccccc21- InChIKey
GDTMGXBOHKRRGR-UHFFFAOYSA-N- Molecular formula
- C14H16Cl2N2O2
- Average molar mass
- 315.2 g/mol
- Monoisotopic mass
- 314.0588831
Names & identifiers
- Preferred name
- 3-Chloro-1-[4-(3-chloropropanoyl)-2,3-dihydroquinoxalin-1-yl]propan-1-one
- IUPAC
- 3-chloro-1-[4-(3-chloropropanoyl)-2,3-dihydroquinoxalin-1-yl]propan-1-one
Names & synonyms
6687-92-9NSC61789DTXSID10985495NSC-61789Quinoxaline,4-bis(3-chloropropionyl)-1,2,3,4-tetrahydro-1,1'-(2,3-Dihydroquinoxaline-1,4-diyl)bis(3-chloropropan-1-one)
Database identifiers
- CAS
6687-92-9- PubChem CID
- 247347
- DTXSID
DTXSID10985495
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 40.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 331
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Compound notes
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