Basic information
- CAS
443328-91-4- Standard SMILES
COC(=O)Cn1c2ccccc2c2nc3ccccc3nc21- InChIKey
UPBZCLFBTNROBT-UHFFFAOYSA-N- Molecular formula
- C17H13N3O2
- Average molar mass
- 291.3 g/mol
- Monoisotopic mass
- 291.10077667
Names & identifiers
- Preferred name
- Methyl 2-indolo[3,2-b]quinoxalin-6-ylacetate
- IUPAC
- methyl 2-indolo[3,2-b]quinoxalin-6-ylacetate
Names & synonyms
methyl 2-indolo[3,2-b]quinoxalin-6-ylacetate443328-91-4Indolo[2,3-b]quinoxalin-6-yl-acetic acid methyl estermethyl 2-(6H-indolo[2,3-b]quinoxalin-6-yl)acetatemethyl 6H-indolo[2,3-b]quinoxalin-6-ylacetateMethyl (6H-indolo[2,3-b]quinoxalin-6-yl)acetateChemDiv2_004234Oprea1_220984MLS001211834IFLab1_005126CHEMBL1600673DTXSID201331420
Show more names
HMS1381A10HMS1426I22HMS2840P11STK896745AKOS000571234IDI1_002949SMR000523113EU-0047577
Database identifiers
- CAS
443328-91-4- PubChem CID
- 795706
- DTXSID
DTXSID201331420- ChEMBL
CHEMBL1600673
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 57 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 430
Experimental & physicochemical properties
Solubility0.2 [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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