4-(3-Bromophenylmethylamino)-6,7-diethoxy-3-quinolinecarbonitrile

HCID 22466686
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Basic information

Standard SMILES
CCOc1cc2ncc(C#N)c(NCc3cccc(Br)c3)c2cc1OCC
InChIKey
MOMWLTJRHZNPRC-UHFFFAOYSA-N
Molecular formula
C21H20BrN3O2
Average molar mass
426.3 g/mol

Names & identifiers

Preferred name
4-(3-Bromophenylmethylamino)-6,7-diethoxy-3-quinolinecarbonitrile
IUPAC
4-[(3-bromophenyl)methylamino]-6,7-diethoxyquinoline-3-carbonitrile

Names & synonyms

SCHEMBL6381492MOMWLTJRHZNPRC-UHFFFAOYSA-N4-(3-Bromophenylmethylamino)-6,7-diethoxy-3-quinolinecarbonitrile

Database identifiers

PubChem CID
22466686

Properties

Computed structural properties

XLogP
5.3
Topological polar surface area
67.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
7
Heavy atoms
27

Related reactions

3 records
New reaction record

Linked notes

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