CAS 282547-87-9 6-Fluoro-8-(piperazin-1-yl)quinoline (HCID 58975488)

Substructure search Find similar structures

Basic information

CAS: 282547-87-9
Standard SMILES: Fc1cc(N2CCNCC2)c2ncccc2c1
InChIKey: LGDIXRNRHUSUCV-UHFFFAOYSA-N
Molecular formula: C13H14FN3
Average molar mass: 231.27 g/mol
Monoisotopic mass: 231.11717562

Names & identifiers

Preferred name: 6-Fluoro-8-(piperazin-1-yl)quinoline
IUPAC: 6-fluoro-8-piperazin-1-ylquinoline

Names & synonyms

6-Fluoro-8-(piperazin-1-yl)quinoline282547-87-9SCHEMBL35614506-fluoro-8-piperazino quinoline6-fluoro-8-piperazino-quinolineDTXSID10730745LGDIXRNRHUSUCV-UHFFFAOYSA-N6-fluoro-8-piperazin-1-ylquinoline6-fluoro-8-(1-piperazinyl)quinoline

Database identifiers

CAS: 282547-87-9
PubChem CID: 58975488
DTXSID: DTXSID10730745

Properties

Computed structural propertiesFilling in

XLogP: 1.8
Topological polar surface area: 28.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 17
Formal charge: 0
Complexity: 255

Related reactions

8 records

New reaction record

HRID 283442As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 935634As reactantValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1128550As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1178793As reactantuspto-grants-2007_10

HRID 1178823As reactantuspto-grants-2007_10

HRID 1217049As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 2241968As reactantuspto-grants-2010_03

HRID 2241985As reactantuspto-grants-2010_03

Compound notes

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