Basic information
- Standard SMILES
CC(C)N(C)c1nc2cc(C(=O)O)ccc2nc1-c1cc2cc(F)ccc2o1- InChIKey
JANPZECAFMRBBL-UHFFFAOYSA-N- Molecular formula
- C21H18FN3O3
- Average molar mass
- 379.4 g/mol
Names & identifiers
- Preferred name
- 2-(5-Fluorobenzofuran-2-yl)-3-(isopropyl(methyl)amino)quinoxaline-6-carboxylic acid
- IUPAC
- 2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid
Names & synonyms
SCHEMBL1459675CHEMBL3717123JANPZECAFMRBBL-UHFFFAOYSA-N2-(5-fluorobenzofuran-2-yl)-3-(isopropyl(methyl)amino)quinoxaline-6-carboxylic acid2-(5-fluorobenzofuran-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid
Database identifiers
- PubChem CID
- 50991663
- ChEMBL
CHEMBL3717123
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 79.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 577
Related reactions
3 records
Compound notes
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