3-Iodo-8-(4-methyl-piperazin-1-yl)-quinoline

HCID 67313746

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CN1CCN(c2cccc3cc(I)cnc23)CC1
InChIKey: SFKJHBDFMNVYFS-UHFFFAOYSA-N
Molecular formula: C14H16IN3
Average molar mass: 353.2 g/mol
Monoisotopic mass: 353.0389

Names & identifiers

Preferred name: 3-Iodo-8-(4-methyl-piperazin-1-yl)-quinoline
IUPAC: 3-iodo-8-(4-methylpiperazin-1-yl)quinoline

Names & synonyms

3-iodo-8-(4-methyl-piperazin-1-yl)-quinolineSCHEMBL2197477SFKJHBDFMNVYFS-UHFFFAOYSA-N607743-06-6DB-218093

Database identifiers

PubChem CID: 67313746

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 19.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 18
Formal charge: 0
Complexity: 278

Related reactions

15 records

New reaction record

HRID 192827As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 271130As productuspto-grants-2008_11

HRID 271137As reactantuspto-grants-2008_11

HRID 296138As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 812316As productTest data from https://doi.org/10.1039/C8SC04228D

HRID 883520As productuspto-grants-2012_08

HRID 883528As reactantuspto-grants-2012_08

HRID 1010586As productuspto-grants-2011_07

Compound notes

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