Basic information
- Standard SMILES
CCc1c(C(=O)O)ncc2c1c1ccccc1n2C(C)C- InChIKey
JTMRLJLIAWDYAG-UHFFFAOYSA-N- Molecular formula
- C17H18N2O2
- Average molar mass
- 282.34 g/mol
Names & identifiers
- Preferred name
- 3-Carboxy-4-ethyl-9-isopropyl-9H-pyrido[3,4-b]indole
- IUPAC
- 4-ethyl-9-propan-2-ylpyrido[3,4-b]indole-3-carboxylic acid
Names & synonyms
SCHEMBL5096217JTMRLJLIAWDYAG-UHFFFAOYSA-N3-Carboxy-4-ethyl-9-isopropyl-9H-pyrido[3,4-b]indole
Database identifiers
- PubChem CID
- 69309511
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 398
Related reactions
2 records
Compound notes
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