6-(4-Methylpiperidine-1-sulfonyl)-2-phenylquinoline-4-carboxylate
Basic information
- CAS
6795-34-2- Standard SMILES
CC1CCN(S(=O)(=O)c2ccc3nc(-c4ccccc4)cc(C(=O)[O-])c3c2)CC1- InChIKey
RWSKOSYSNQLEOG-UHFFFAOYSA-M- Molecular formula
- C22H21N2O4S-
- Average molar mass
- 409.5 g/mol
- Monoisotopic mass
- 409.12220333
Names & identifiers
- Preferred name
- 6-(4-Methylpiperidine-1-sulfonyl)-2-phenylquinoline-4-carboxylate
- IUPAC
- 6-(4-methylpiperidin-1-yl)sulfonyl-2-phenylquinoline-4-carboxylate
Names & synonyms
6795-34-2DTXSID504096806-(4-Methylpiperidine-1-sulfonyl)-2-phenylquinoline-4-carboxylate
Database identifiers
- CAS
6795-34-2- PubChem CID
- 5203379
- DTXSID
DTXSID50409680
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 98.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- -1
- Complexity
- 672
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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