Basic information
- Standard SMILES
CCCCN(C)c1nccc2ccc(C(=O)O)cc12- InChIKey
COFFLZWOAJZHEW-UHFFFAOYSA-N- Molecular formula
- C15H18N2O2
- Average molar mass
- 258.32 g/mol
Names & identifiers
- Preferred name
- 1-[Butyl(methyl)amino]isoquinoline-7-carboxylic acid
- IUPAC
- 1-[butyl(methyl)amino]isoquinoline-7-carboxylic acid
Names & synonyms
SCHEMBL3352050COFFLZWOAJZHEW-UHFFFAOYSA-N1-[butyl(methyl)amino]isoquinoline-7-carboxylic acid
Database identifiers
- PubChem CID
- 21085178
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 53.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 309
Related reactions
6 records
Compound notes
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