Basic information
- Standard SMILES
CCn1ncc2c(NCC3CCC(C(=O)OCSC)CC3)c3ccccc3nc21- InChIKey
GLVZRQPVWKCRRS-UHFFFAOYSA-N- Molecular formula
- C22H28N4O2S
- Average molar mass
- 412.6 g/mol
Names & identifiers
- Preferred name
- 1-ethyl-N-[[4-(methylthiomethoxycarbonyl)cyclohexyl]methyl]-1H-pyrazolo[3,4-b]quinolin-4-amine
- IUPAC
- methylsulfanylmethyl 4-[[(1-ethylpyrazolo[3,4-b]quinolin-4-yl)amino]methyl]cyclohexane-1-carboxylate
Names & synonyms
SCHEMBL7338165GLVZRQPVWKCRRS-UHFFFAOYSA-N1-ethyl-N-[[4-(methylthiomethoxycarbonyl) cyclohexyl]methyl]-1H-pyrazolo[3,4-b]quinolin-4-amine1-ethyl-N-[[4-(methylthiomethoxycarbonyl)cyclohexyl]methyl]-1H-pyrazolo[3,4-b]quinolin-4-amine
Database identifiers
- PubChem CID
- 9822982
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 94.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 543
Related reactions
2 records
Compound notes
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