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Basic information
- Standard SMILES
CC(=O)c1cnc2ccc(Br)cc2c1Nc1cnn(C2CCN(C)C2)c1- InChIKey
ZSSQEHLCQDAWRD-UHFFFAOYSA-N- Molecular formula
- C19H20BrN5O
- Average molar mass
- 414.3 g/mol
Names & identifiers
- Preferred name
- 1-(6-bromo-4-((1-(1-methylpyrrolidin-3-yl)-1H-pyrazol-4-yl)amino)quinolin-3-yl)ethanone
- IUPAC
- 1-[6-bromo-4-[[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]amino]quinolin-3-yl]ethanone
Names & synonyms
SCHEMBL530648ZSSQEHLCQDAWRD-UHFFFAOYSA-N1-(6-bromo-4-((1-(1-methylpyrrolidin-3-yl)-1H-pyrazol-4-yl)amino)quinolin-3-yl)ethanone
Database identifiers
- PubChem CID
- 66716316
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 63.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 520
Related reactions
3 records
Compound notes
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