Basic information
- Standard SMILES
CC(C)(C)OC(=O)COc1ccc2ncc(C(=O)O)cc2c1- InChIKey
WVJWNTRBYBFEQC-UHFFFAOYSA-N- Molecular formula
- C16H17NO5
- Average molar mass
- 303.31 g/mol
Names & identifiers
- Preferred name
- 6-(2-Tert-butoxy-2-oxoethoxy)quinoline-3-carboxylic acid
- IUPAC
- 6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]quinoline-3-carboxylic acid
Names & synonyms
6-(2-tert-butoxy-2-oxoethoxy)quinoline-3-carboxylic acidSCHEMBL13387008WVJWNTRBYBFEQC-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 70896145
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 85.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 417
Related reactions
2 records
Compound notes
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