4-[2-((S)-2-Cyclobutylcarbamoyl-pyrrolidin-1-yl)-2-oxo-ethoxy]-quinoline-2-carboxylic acid
Basic information
- Standard SMILES
O=C(O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)c2ccccc2n1- InChIKey
HEZDJRPJHBCTKZ-KRWDZBQOSA-N- Molecular formula
- C21H23N3O5
- Average molar mass
- 397.4 g/mol
Names & identifiers
- Preferred name
- 4-[2-((S)-2-Cyclobutylcarbamoyl-pyrrolidin-1-yl)-2-oxo-ethoxy]-quinoline-2-carboxylic acid
- IUPAC
- 4-[2-[(2S)-2-(cyclobutylcarbamoyl)pyrrolidin-1-yl]-2-oxoethoxy]quinoline-2-carboxylic acid
Names & synonyms
SCHEMBL3332198HEZDJRPJHBCTKZ-KRWDZBQOSA-N4-[2-((S)-2-Cyclobutylcarbamoyl-pyrrolidin-1-yl)-2-oxo-ethoxy]-quinoline-2-carboxylic acid
Database identifiers
- PubChem CID
- 68600153
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 638
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Related reactions
1 records
Compound notes
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