Basic information
- Standard SMILES
ClC1CCn2nc(-c3ccccn3)c(-c3ccnc4cc(Br)ccc34)c21- InChIKey
WWULYJQXLWBTJE-UHFFFAOYSA-N- Molecular formula
- C20H14BrClN4
- Average molar mass
- 425.7 g/mol
- Monoisotopic mass
- 424.00904
Names & identifiers
- Preferred name
- 7-Bromo-4-(4-chloro-2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-quinoline
- IUPAC
- 7-bromo-4-(4-chloro-2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline
Names & synonyms
SCHEMBL413299WWULYJQXLWBTJE-UHFFFAOYSA-N7-Bromo-4-(4-chloro-2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-quinoline
Database identifiers
- PubChem CID
- 10113211
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 43.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 508
Related reactions
4 records
Linked notes
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