Basic information
- CAS
22359-31-5- Standard SMILES
CC1COCC(C)N1C1=C(Cl)C(=O)c2ccccc2C1=O- InChIKey
JGYJREAOLDRIGO-UHFFFAOYSA-N- Molecular formula
- C16H16ClNO3
- Average molar mass
- 305.75 g/mol
- Monoisotopic mass
- 305.0818711
Names & identifiers
- Preferred name
- 2-Chloro-3-(3,5-dimethylmorpholin-4-yl)naphthalene-1,4-dione
- IUPAC
- 2-chloro-3-(3,5-dimethylmorpholin-4-yl)naphthalene-1,4-dione
Names & synonyms
MLS0027039172-chloro-3-(3,5-dimethylmorpholin-4-yl)naphthalene-1,4-dione22359-31-5SMR001570630NSC106442cid_267286CHEMBL1734152BDBM80080DTXSID50295944NSC-106442SR-01000880398SR-01000880398-2
Show more names
2-chloro-3-(3,5-dimethylmorpholino)-1,4-naphthoquinone2-chloro-3-(3,5-dimethyl-4-morpholinyl)naphthalene-1,4-dione2-chloranyl-3-(3,5-dimethylmorpholin-4-yl)naphthalene-1,4-dione
Database identifiers
- CAS
22359-31-5- PubChem CID
- 267286
- DTXSID
DTXSID50295944- ChEMBL
CHEMBL1734152
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 492
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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