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Basic information
- Standard SMILES
Cc1ccc2c(O[C@H](C)C(=O)N3CCC[C@H]3C(=O)NC3CCC3)cc(C(=O)O)nc2c1- InChIKey
HWJSYKSEUHWEOY-KUHUBIRLSA-N- Molecular formula
- C23H27N3O5
- Average molar mass
- 425.5 g/mol
- Monoisotopic mass
- 425.19507097
Names & identifiers
- Preferred name
- 4-[(R)-2-((S)-2-Cyclobutylcarbamoyl-pyrrolidin-1-yl)-1-methyl-2-oxo-ethoxy]-7-methyl-quinoline-2-carboxylic acid
- IUPAC
- 4-[(2R)-1-[(2S)-2-(cyclobutylcarbamoyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]oxy-7-methylquinoline-2-carboxylic acid
Names & synonyms
SCHEMBL3332896HWJSYKSEUHWEOY-KUHUBIRLSA-N4-[(R)-2-((S)-2-Cyclobutylcarbamoyl-pyrrolidin-1-yl)-1-methyl-2-oxo-ethoxy]-7-methyl-quinoline-2-carboxylic acid
Database identifiers
- PubChem CID
- 68600613
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 697
Related reactions
3 records
Compound notes
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