Basic information
- Standard SMILES
COc1cccc(OC)c1C(CCCC(=O)O)NCc1cnc2ccccc2c1- InChIKey
ZSQBNRJUTASYFM-UHFFFAOYSA-N- Molecular formula
- C23H26N2O4
- Average molar mass
- 394.5 g/mol
Names & identifiers
- Preferred name
- 5-(2,6-Dimethoxyphenyl)-5-((quinolin-3-ylmethyl)amino)pentanoic acid
- IUPAC
- 5-(2,6-dimethoxyphenyl)-5-(quinolin-3-ylmethylamino)pentanoic acid
Names & synonyms
SCHEMBL4538449ZSQBNRJUTASYFM-UHFFFAOYSA-N5-(2,6-dimethoxyphenyl)-5-((quinolin-3-ylmethyl)amino)pentanoic acid
Database identifiers
- PubChem CID
- 69083527
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 80.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 491
Related reactions
2 records
Compound notes
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