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

HCID 5328846

Notes Reactions

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Basic information

Standard SMILES: COc1cc2ncc(C#N)c(Nc3ccc(F)cc3)c2cc1OC
InChIKey: PICBGXSASXFIAL-UHFFFAOYSA-N
Molecular formula: C18H14FN3O2
Average molar mass: 323.3 g/mol
Monoisotopic mass: 323.10700486

Names & identifiers

Preferred name: 4-[(4-Fluorophenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
IUPAC: 4-(4-fluoroanilino)-6,7-dimethoxyquinoline-3-carbonitrile

Names & synonyms

4-[(4-fluorophenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrileBDBM4451CHEMBL432396SCHEMBL6381464PICBGXSASXFIAL-UHFFFAOYSA-NAKOS0049573584-(4-Fluorophenylamino)-6,7-dimethoxyquinoline-3-carbonitrile4-[(4-fluorophenyl)amino]-6,7-dimethoxy-3-quinolinecarbonitrile

Database identifiers

PubChem CID: 5328846
ChEMBL: CHEMBL432396

Properties

Computed structural properties

XLogP: 4
Topological polar surface area: 67.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 4
Heavy atoms: 24
Formal charge: 0
Complexity: 460

Related reactions

3 records

New reaction record

HRID 139028As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 612011As productuspto-grants-1999_12

HRID 1934930As productuspto-grants-2002_05

Compound notes

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