Basic information
- Standard SMILES
CCCC(Nc1nc2ccccc2cc1C)c1ccc(C(=O)O)cc1- InChIKey
IDMRHKMTNGVDPC-UHFFFAOYSA-N- Molecular formula
- C21H22N2O2
- Average molar mass
- 334.4 g/mol
Names & identifiers
- Preferred name
- (+/-)-4-(1-((3-Methylquinolin-2-yl)amino)butyl)benzoic acid
- IUPAC
- 4-[1-[(3-methylquinolin-2-yl)amino]butyl]benzoic acid
Names & synonyms
SCHEMBL14661365IDMRHKMTNGVDPC-UHFFFAOYSA-N(+/-)-4-(1-((3-methylquinolin-2-yl)amino)butyl)benzoic acid
Database identifiers
- PubChem CID
- 71239463
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 62.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 434
Related reactions
4 records
Compound notes
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