Basic information
- CAS
5438-87-9- Standard SMILES
CCOC(=O)CCCNc1cc(OC)cc2cccnc12- InChIKey
NMSVMLKTWGHDKF-UHFFFAOYSA-N- Molecular formula
- C16H20N2O3
- Average molar mass
- 288.34 g/mol
- Monoisotopic mass
- 288.1473925
Names & identifiers
- Preferred name
- Ethyl 4-[(6-methoxyquinolin-8-yl)amino]butanoate
- IUPAC
- ethyl 4-[(6-methoxyquinolin-8-yl)amino]butanoate
Names & synonyms
ethyl 4-[(6-methoxyquinolin-8-yl)amino]butanoate5438-87-9Ethyl 4-((6-methoxyquinolin-8-yl)amino)butanoateNSC15024DTXSID30279989NSC-15024DS-011035
Database identifiers
- CAS
5438-87-9- PubChem CID
- 225512
- DTXSID
DTXSID30279989
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 60.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 325
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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