Basic information
- Standard SMILES
COC(=O)CC1Cc2ccc(C(=O)OC(C)(C)C)cc2NC1=O- InChIKey
FMBMBTSERZCKCU-UHFFFAOYSA-N- Molecular formula
- C17H21NO5
- Average molar mass
- 319.4 g/mol
Names & identifiers
- Preferred name
- 3-Methoxycarbonylmethyl-2-oxo-1,2,3,4-tetrahydro-quinoline-7-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 3-(2-methoxy-2-oxoethyl)-2-oxo-3,4-dihydro-1H-quinoline-7-carboxylate
Names & synonyms
SCHEMBL7076818FMBMBTSERZCKCU-UHFFFAOYSA-N3-Methoxycarbonylmethyl-2-oxo-1,2,3,4-tetrahydro-quinolin-7-carboxylic Acid Tert-butyl Ester3-methoxycarbonylmethyl-2-oxo-1,2,3,4-tetrahydro-quinoline-7-carboxylic acid tert-butyl ester3-Methoxycarbonylmethyl-2-oxo-1,2.3,4-tetrahydro-quinolin-7-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 69979859
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 482
Related reactions
3 records
Compound notes
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