Basic information
- CAS
42359-61-5- Standard SMILES
O=C1c2cccc3c(O)ccc(c23)C(=O)N1c1ccc(Cl)cc1- InChIKey
AJLGIQNNYJFJPV-UHFFFAOYSA-N- Molecular formula
- C18H10ClNO3
- Average molar mass
- 323.7 g/mol
- Monoisotopic mass
- 323.0349209
Names & identifiers
- Preferred name
- 2-(4-Chlorophenyl)-6-hydroxybenzo[de]isoquinoline-1,3-dione
- IUPAC
- 2-(4-chlorophenyl)-6-hydroxybenzo[de]isoquinoline-1,3-dione
Names & synonyms
42359-61-52-(4-chlorophenyl)-6-hydroxybenzo[de]isoquinoline-1,3-dioneMLS0012049882-(4-Chloro-phenyl)-6-hydroxy-benzo[de]isoquinoline-1,3-dioneSMR0005154192-(4-chlorophenyl)-6-hydroxy-1H-benzo[de]isoquinoline-1,3(2H)-dione3-(4-chlorophenyl)-8-hydroxy-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaene-2,4-dioneOprea1_475931Oprea1_544977CHEMBL1372920BDBM53126cid_5396293
Show more names
DTXSID801324140AKOS000592540CCG-108607PD148403EU-0074288AG-690/12136980F1113-03352-(4-chlorophenyl)-6-oxidanyl-benzo[de]isoquinoline-1,3-dione
Database identifiers
- CAS
42359-61-5- PubChem CID
- 5396293
- DTXSID
DTXSID801324140- ChEMBL
CHEMBL1372920
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 502
Experimental & physicochemical properties
Solubility16.2 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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