5-(Oxiran-2-ylmethoxy)quinoline (HCID 11217899)

Substructure search Find similar structures

Basic information

Standard SMILES: c1cc(OCC2CO2)c2cccnc2c1
InChIKey: MMRYHBTWIHLITG-UHFFFAOYSA-N
Molecular formula: C12H11NO2
Average molar mass: 201.22 g/mol

Names & identifiers

Preferred name: 5-(Oxiran-2-ylmethoxy)quinoline
IUPAC: 5-(oxiran-2-ylmethoxy)quinoline

Names & synonyms

5-(oxiran-2-ylmethoxy)quinoline129717-21-1(R)-5-Oxiranylmethoxyquinoline5-[(oxiran-2-yl)methoxy]quinoline5-Oxiranylmethoxy-quinolineSCHEMBL19792925-(2,3-epoxypropoxy)quinoline5-(2,3-epoxypropoxy) quinolineMMRYHBTWIHLITG-UHFFFAOYSA-NEN300-192339

Database identifiers

PubChem CID: 11217899

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 34.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 222

Related reactions

21 records

New reaction record

HRID 40650As reactantuspto-grants-2013_09

HRID 99313As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 156127As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 161171As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 165405As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 300856As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 664060As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 807132As reactantTest data from https://doi.org/10.1039/C8SC04228D

Compound notes

Loading…