Basic information
- Standard SMILES
Cc1nn(-c2ccccn2)c2nc3ccccc3c(OCC(C)C)c12- InChIKey
HQPOCXWLLMGXTF-UHFFFAOYSA-N- Molecular formula
- C20H20N4O
- Average molar mass
- 332.4 g/mol
Names & identifiers
- Preferred name
- 4-Isobutoxy-3-methyl-1-(2-pyridinyl)-1H-pyrazolo[3,4-b]quinoline
- IUPAC
- 3-methyl-4-(2-methylpropoxy)-1-pyridin-2-ylpyrazolo[3,4-b]quinoline
Names & synonyms
SCHEMBL6351185HQPOCXWLLMGXTF-UHFFFAOYSA-N4-Isobutoxy-3-methyl-1-(2-pyridinyl)-1H-pyrazolo[3,4-b]quinoline
Database identifiers
- PubChem CID
- 22320394
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 52.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 445
Related reactions
2 records
Compound notes
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