4-Chloro-6-cyano-7-(2-methoxyethoxy)quinoline

HCID 22646522

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: COCCOc1cc2nccc(Cl)c2cc1C#N
InChIKey: JNHOQSRBEVGIBZ-UHFFFAOYSA-N
Molecular formula: C13H11ClN2O2
Average molar mass: 262.69 g/mol

Names & identifiers

Preferred name: 4-Chloro-6-cyano-7-(2-methoxyethoxy)quinoline
IUPAC: 4-chloro-7-(2-methoxyethoxy)quinoline-6-carbonitrile

Names & synonyms

SCHEMBL1893907JNHOQSRBEVGIBZ-UHFFFAOYSA-NDB-0999054-chloro-6-cyano-7-(2-methoxyethoxy)quinoline205448-34-6

Database identifiers

PubChem CID: 22646522

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 55.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 18
Formal charge: 0
Complexity: 317

Related reactions

15 records

New reaction record

HRID 387695As reactantuspto-grants-2013_02

HRID 393601As reactantuspto-grants-2004_10

HRID 693839As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 807821As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 853214As reactantuspto-grants-2007_08

HRID 853216As reactantuspto-grants-2007_08

HRID 1010078As reactantuspto-grants-2011_07

HRID 1010080As reactantuspto-grants-2011_07

Compound notes

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