7-Bromo-4-(2-chloro-5-methoxy-4-methylanilino)quinoline-3-carbonitrile

HCID 23437814
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Basic information

Standard SMILES
COc1cc(Nc2c(C#N)cnc3cc(Br)ccc23)c(Cl)cc1C
InChIKey
HTDWJQHVZIAUPA-UHFFFAOYSA-N
Molecular formula
C18H13BrClN3O
Average molar mass
402.7 g/mol

Names & identifiers

Preferred name
7-Bromo-4-(2-chloro-5-methoxy-4-methylanilino)quinoline-3-carbonitrile
IUPAC
7-bromo-4-(2-chloro-5-methoxy-4-methylanilino)quinoline-3-carbonitrile

Names & synonyms

SCHEMBL5255604

Database identifiers

PubChem CID
23437814

Properties

Computed structural properties

XLogP
5.7
Topological polar surface area
57.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
24

Related reactions

2 records
New reaction record

Compound notes

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