4-[(3-Chlorophenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile

HCID 5328841

Basic information

Standard SMILES
COc1cc2ncc(C#N)c(Nc3cccc(Cl)c3)c2cc1OC
InChIKey
HLBGGOYPNRIHFH-UHFFFAOYSA-N
Molecular formula
C18H14ClN3O2
Average molar mass
339.8 g/mol
Monoisotopic mass
339.0774544

Names & identifiers

Preferred name
4-[(3-Chlorophenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
IUPAC
4-(3-chloroanilino)-6,7-dimethoxyquinoline-3-carbonitrile

Names & synonyms

BDBM4446CHEMBL109428SCHEMBL6382117HLBGGOYPNRIHFH-UHFFFAOYSA-N4-[(3-chlorophenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile4-(3-Chlorophenylamino)-6,7-dimethoxyquinoline-3-carbonitrile4-[(3-chlorophenyl)amino]-6,7-dimethoxy-3-quinolinecarbonitrile

Database identifiers

PubChem CID
5328841
ChEMBL
CHEMBL109428
Nikkaji
J1.401.569H

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
67.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
24

Related reactions

3 records

Compound notes

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