Basic information
- Standard SMILES
CCC(=O)N1CC(=CNN(C)C(=O)OC(C)(C)C)C(=O)c2cc(Cl)ccc21- InChIKey
MWLOHMRWHOAREJ-UHFFFAOYSA-N- Molecular formula
- C19H24ClN3O4
- Average molar mass
- 393.9 g/mol
Names & identifiers
- Preferred name
- 3-(2-Tert-butoxycarbonyl-2-methylhydrazino)methylene-6-chloro-4-oxo-1-propionyl-1,2,3,4-tetrahydroquinoline
- IUPAC
- tert-butyl N-[(6-chloro-4-oxo-1-propanoyl-2H-quinolin-3-ylidene)methylamino]-N-methylcarbamate
Names & synonyms
SCHEMBL9539092MWLOHMRWHOAREJ-UHFFFAOYSA-N3-(2-tert-butoxycarbonyl-2-methylhydrazino)methylene-6-chloro-4-oxo-1-propionyl-1,2,3,4-tetrahydroquinoline
Database identifiers
- PubChem CID
- 54094934
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 79 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 629
Related reactions
3 records
Compound notes
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