Basic information
- Standard SMILES
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3Cc4cccc([N+](=O)[O-])c4C3)c(F)c21- InChIKey
QWGXXJGPCMOUMP-UHFFFAOYSA-N- Molecular formula
- C20H15F2N3O5
- Average molar mass
- 415.3 g/mol
- Monoisotopic mass
- 415.09797691
Names & identifiers
- Preferred name
- 7-(4-Nitro-2-isoindolinyl)-1-ethyl-6,8-difluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid
- IUPAC
- 1-ethyl-6,8-difluoro-7-(4-nitro-1,3-dihydroisoindol-2-yl)-4-oxoquinoline-3-carboxylic acid
Names & synonyms
SCHEMBL9757350QWGXXJGPCMOUMP-UHFFFAOYSA-N7-(4-nitro-2-isoindolinyl)-1-ethyl-6,8-difluoro-1,4-dihydro- 4-oxoquinoline-3-carboxylic acid
Database identifiers
- PubChem CID
- 14795809
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 772
Related reactions
1 records
Compound notes
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