tert-butyl 2-[3-{[(4-chlorobenzyl)amino]carbonyl}-6-iodo-4-oxo-1(4H)-quinolinyl]acetate
Basic information
- Standard SMILES
CC(C)(C)OC(=O)Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(I)ccc21- InChIKey
QPPFJJQUTFQKCK-UHFFFAOYSA-N- Molecular formula
- C23H22ClIN2O4
- Average molar mass
- 552.8 g/mol
- Monoisotopic mass
- 552.03128
Names & identifiers
- Preferred name
- tert-butyl 2-[3-{[(4-chlorobenzyl)amino]carbonyl}-6-iodo-4-oxo-1(4H)-quinolinyl]acetate
- IUPAC
- tert-butyl 2-[3-[(4-chlorophenyl)methylcarbamoyl]-6-iodo-4-oxoquinolin-1-yl]acetate
Names & synonyms
SCHEMBL7940926QPPFJJQUTFQKCK-UHFFFAOYSA-Ntert-butyl 2-[3-{[(4-chlorobenzyl)amino]carbonyl}-6-iodo-4-oxo-1(4H)-quinolinyl]acetate
Database identifiers
- PubChem CID
- 21192561
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 75.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 728
Related reactions
3 records
Compound notes
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