2-(dioxiran-3-yl)imidazo[1,2-a]quinoline

C12H8N2O2 — CID 57315693

IUPAC2-(dioxiran-3-yl)imidazo[1,2-a]quinoline
SMILESc1ccc2c(c1)ccc1nc(C3OO3)cn12
InChIInChI=1S/C12H8N2O2/c1-2-4-10-8(3-1)5-6-11-13-9(7-14(10)11)12-15-16-12/h1-7,12H
InChIKeyKRWQPUMQZZTRHE-UHFFFAOYSA-N
MW212.21 g/mol
LogP2.45
Rot. Bonds1

About 2-(dioxiran-3-yl)imidazo[1,2-a]quinoline

2-(dioxiran-3-yl)imidazo[1,2-a]quinoline (PubChem CID 57315693) has the molecular formula C12H8N2O2 and a molecular weight of 212.21 g/mol. Its IUPAC name is 2-(dioxiran-3-yl)imidazo[1,2-a]quinoline.

Molecular Properties

Compound Name2-(dioxiran-3-yl)imidazo[1,2-a]quinoline
PubChem CID57315693
Molecular FormulaC12H8N2O2
Molecular Weight212.21 g/mol
Exact Mass212.06
IUPAC Name2-(dioxiran-3-yl)imidazo[1,2-a]quinoline
SMILESc1ccc2c(c1)ccc1nc(C3OO3)cn12
InChIInChI=1S/C12H8N2O2/c1-2-4-10-8(3-1)5-6-11-13-9(7-14(10)11)12-15-16-12/h1-7,12H
InChIKeyKRWQPUMQZZTRHE-UHFFFAOYSA-N
XLogP2.45
TPSA42.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(dioxiran-3-yl)imidazo[1,2-a]quinoline?
The IUPAC name of 2-(dioxiran-3-yl)imidazo[1,2-a]quinoline (CID 57315693) is 2-(dioxiran-3-yl)imidazo[1,2-a]quinoline.
What is the SMILES notation for 2-(dioxiran-3-yl)imidazo[1,2-a]quinoline?
The canonical SMILES for 2-(dioxiran-3-yl)imidazo[1,2-a]quinoline is c1ccc2c(c1)ccc1nc(C3OO3)cn12.
What is the InChIKey of 2-(dioxiran-3-yl)imidazo[1,2-a]quinoline?
The InChIKey is KRWQPUMQZZTRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O2/c1-2-4-10-8(3-1)5-6-11-13-9(7-14(10)11)12-15-16-12/h1-7,12H.
What are the key properties of 2-(dioxiran-3-yl)imidazo[1,2-a]quinoline?
2-(dioxiran-3-yl)imidazo[1,2-a]quinoline has a molecular weight of 212.21 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dioxiran-3-yl)imidazo[1,2-a]quinoline is sourced from PubChem (CID 57315693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).