Basic information
- Standard SMILES
CCCCn1nc2c(N)nc3ccccc3c2c1CCCS(=O)(=O)c1ccccc1- InChIKey
QFPHBAKKAKOEAZ-UHFFFAOYSA-N- Molecular formula
- C23H26N4O2S
- Average molar mass
- 422.5 g/mol
- Monoisotopic mass
- 422.17764726
Names & identifiers
- Preferred name
- 1-(3-benzenesulfonylpropyl)-2-butyl-2H-pyrazolo[3,4-c]quinolin-4-amine
- IUPAC
- 1-[3-(benzenesulfonyl)propyl]-2-butylpyrazolo[3,4-c]quinolin-4-amine
Names & synonyms
SCHEMBL1231871QFPHBAKKAKOEAZ-UHFFFAOYSA-N1-(3-benzenesulfonylpropyl)-2-butyl-2H-pyrazolo[3,4-c]quinolin-4-amine
Database identifiers
- PubChem CID
- 57717505
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 99.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 646
Related reactions
3 records
Compound notes
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