Basic information
- Standard SMILES
Cc1cc(Br)cc2c(Cl)c(Cc3ccc(-n4cccn4)cc3)c(Cl)nc12- InChIKey
RKEKHVQLNQSQTM-UHFFFAOYSA-N- Molecular formula
- C20H14BrCl2N3
- Average molar mass
- 447.2 g/mol
- Monoisotopic mass
- 444.97482
Names & identifiers
- Preferred name
- 3-(4-(1H-Pyrazol-1-yl)benzyl)-6-bromo-2,4-dichloro-8-methylquinoline
- IUPAC
- 6-bromo-2,4-dichloro-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline
Names & synonyms
1599529-08-4SCHEMBL15648646RKEKHVQLNQSQTM-UHFFFAOYSA-N3-(4-(1H-Pyrazol-1-yl)benzyl)-6-bromo-2,4-dichloro-8-methylquinolineDA-43916
Database identifiers
- PubChem CID
- 86715598
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 474
Related reactions
8 records
Compound notes
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