2-[2-(oxiran-2-yl)ethyl]quinoline

C13H13NO — CID 115410457

IUPAC2-[2-(oxiran-2-yl)ethyl]quinoline
SMILESc1ccc2nc(CCC3CO3)ccc2c1
InChIInChI=1S/C13H13NO/c1-2-4-13-10(3-1)5-6-11(14-13)7-8-12-9-15-12/h1-6,12H,7-9H2
InChIKeyNNZMIDWAGGOBFE-UHFFFAOYSA-N
MW199.25 g/mol
LogP2.57
Rot. Bonds3

About 2-[2-(oxiran-2-yl)ethyl]quinoline

2-[2-(oxiran-2-yl)ethyl]quinoline (PubChem CID 115410457) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-[2-(oxiran-2-yl)ethyl]quinoline.

Molecular Properties

Compound Name2-[2-(oxiran-2-yl)ethyl]quinoline
PubChem CID115410457
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name2-[2-(oxiran-2-yl)ethyl]quinoline
SMILESc1ccc2nc(CCC3CO3)ccc2c1
InChIInChI=1S/C13H13NO/c1-2-4-13-10(3-1)5-6-11(14-13)7-8-12-9-15-12/h1-6,12H,7-9H2
InChIKeyNNZMIDWAGGOBFE-UHFFFAOYSA-N
XLogP2.57
TPSA25.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxiran-2-yl)ethyl]quinoline?
The IUPAC name of 2-[2-(oxiran-2-yl)ethyl]quinoline (CID 115410457) is 2-[2-(oxiran-2-yl)ethyl]quinoline.
What is the SMILES notation for 2-[2-(oxiran-2-yl)ethyl]quinoline?
The canonical SMILES for 2-[2-(oxiran-2-yl)ethyl]quinoline is c1ccc2nc(CCC3CO3)ccc2c1.
What is the InChIKey of 2-[2-(oxiran-2-yl)ethyl]quinoline?
The InChIKey is NNZMIDWAGGOBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c1-2-4-13-10(3-1)5-6-11(14-13)7-8-12-9-15-12/h1-6,12H,7-9H2.
What are the key properties of 2-[2-(oxiran-2-yl)ethyl]quinoline?
2-[2-(oxiran-2-yl)ethyl]quinoline has a molecular weight of 199.25 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxiran-2-yl)ethyl]quinoline is sourced from PubChem (CID 115410457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).