Basic information
- Standard SMILES
CCCC(Nc1nc2ccccc2cc1C)c1ccc(C(=O)NCCC(=O)OC)cc1- InChIKey
NTKTWYPMAQTCKH-UHFFFAOYSA-N- Molecular formula
- C25H29N3O3
- Average molar mass
- 419.5 g/mol
- Monoisotopic mass
- 419.2208918
Names & identifiers
- Preferred name
- Methyl (+)-3-(4-(1-((3-methylquinolin-2-yl)amino)butyl)benzamido)propanoate
- IUPAC
- methyl 3-[[4-[1-[(3-methylquinolin-2-yl)amino]butyl]benzoyl]amino]propanoate
Names & synonyms
SCHEMBL14661363NTKTWYPMAQTCKH-UHFFFAOYSA-Nmethyl (+)-3-(4-(1-((3-methylquinolin-2-yl)amino)butyl)benzamido)propanoatemethyl(+)-3-(4-(1-((3-methylquinolin-2-yl)amino)butyl)benzamido)propanoate
Database identifiers
- PubChem CID
- 71239461
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 80.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 576
Related reactions
2 records
Compound notes
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