Basic information
- Standard SMILES
CCCCS(=O)(=O)Nc1ccc(N2CCC(NC[C@H](O)COc3ccc(O)c4c3CCC(=O)N4)CC2)cc1- InChIKey
LVNLXHHZFMQSGF-QFIPXVFZSA-N- Molecular formula
- C27H38N4O6S
- Average molar mass
- 546.7 g/mol
- Monoisotopic mass
- 546.25120612
Names & identifiers
- Preferred name
- N-{4-[4-({(2S)-2-Hydroxy-3-[(8-hydroxy-2-oxo-1,2,3,4-tetrahydro-5-quinolinyl)oxy]-propyl}amino)-1-piperidineyl]phenyl}-1-butanesulfonamide
- IUPAC
- N-[4-[4-[[(2S)-2-hydroxy-3-[(8-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]propyl]amino]piperidin-1-yl]phenyl]butane-1-sulfonamide
Names & synonyms
SCHEMBL6075075LVNLXHHZFMQSGF-QFIPXVFZSA-NN-{4-[4-({(2S)-2-Hydroxy-3-[(8-hydroxy-2-oxo-1,2,3,4-tetrahydro-5-quinolinyl)oxy]-propyl}amino)-1-piperidineyl]phenyl}-1-butanesulfonamideN-{4-[4-({(2S)-2-Hydroxy-3-[(8-hydroxy-2-oxo-1,2,3,4-tetrahydro-5-quinolinyl)oxy]-propyl}amino)-1-piperidinyl]phenyl}-1-butanesulfonamide
Database identifiers
- PubChem CID
- 69655077
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 12
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 839
Related reactions
2 records
Compound notes
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