3-(4-(1H-Pyrazol-1-yl)benzyl)-6-bromo-4-chloro-2-methoxyquinoline

HCID 86715596
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Basic information

Standard SMILES
COc1nc2ccc(Br)cc2c(Cl)c1Cc1ccc(-n2cccn2)cc1
InChIKey
IZPNSFAQEZJMQE-UHFFFAOYSA-N
Molecular formula
C20H15BrClN3O
Average molar mass
428.7 g/mol
Monoisotopic mass
427.0087

Names & identifiers

Preferred name
3-(4-(1H-Pyrazol-1-yl)benzyl)-6-bromo-4-chloro-2-methoxyquinoline
IUPAC
6-bromo-4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline

Names & synonyms

1599529-06-2SCHEMBL15648523IZPNSFAQEZJMQE-UHFFFAOYSA-N3-(4-(1H-Pyrazol-1-yl)benzyl)-6-bromo-4-chloro-2-methoxyquinolineDA-43917

Database identifiers

PubChem CID
86715596

Properties

Computed structural properties

XLogP
5.7
Topological polar surface area
39.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
26

Related reactions

28 records
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Compound notes

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