4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-ethoxy-7-fluoro-3-quinolinecarbonitrile

HCID 11545936
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOc1cc2c(Nc3cc(OC)c(Cl)cc3Cl)c(C#N)cnc2cc1F
InChIKey
HKMBTDKVFJXFTJ-UHFFFAOYSA-N
Molecular formula
C19H14Cl2FN3O2
Average molar mass
406.2 g/mol
Monoisotopic mass
405.0447102

Names & identifiers

Preferred name
4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-ethoxy-7-fluoro-3-quinolinecarbonitrile
IUPAC
4-(2,4-dichloro-5-methoxyanilino)-6-ethoxy-7-fluoroquinoline-3-carbonitrile

Names & synonyms

SCHEMBL5099806HKMBTDKVFJXFTJ-UHFFFAOYSA-N4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-ethoxy-7-fluoro-3-quinolinecarbonitrile

Database identifiers

PubChem CID
11545936

Properties

Computed structural properties

XLogP
5.7
Topological polar surface area
67.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
27

Related reactions

4 records
New reaction record

Compound notes

Loading…