Basic information
- Standard SMILES
CC(=O)c1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1Nc1cnn(C2CCN(C)C2)c1.Cl.Cl- InChIKey
FYVATBGOHRFWGV-UHFFFAOYSA-N- Molecular formula
- C25H25Cl3FN5O2
- Average molar mass
- 552.9 g/mol
Names & identifiers
- Preferred name
- 1-(6-(3-chloro-5-fluoro-4-hydroxyphenyl)-4-((1-(1-methylpyrrolidin-3-yl)-1H-pyrazol-4-yl)amino)quinolin-3-yl)ethanone dihydrochloride
- IUPAC
- 1-[6-(3-chloro-5-fluoro-4-hydroxyphenyl)-4-[[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]amino]quinolin-3-yl]ethanone;dihydrochloride
Names & synonyms
SCHEMBL530283FYVATBGOHRFWGV-UHFFFAOYSA-N1-(6-(3-chloro-5-fluoro-4-hydroxyphenyl)-4-((1-(1-methylpyrrolidin-3-yl)-1H-pyrazol-4-yl)amino)quinolin-3-yl)ethanone dihydrochloride
Database identifiers
- PubChem CID
- 66716111
Properties
Computed structural properties
- Topological polar surface area
- 83.3 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 733
Related reactions
1 records
Compound notes
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