3-(furan-2-ylmethoxy)quinoxalin-2-amine

C13H11N3O2 — CID 102987663

IUPAC3-(furan-2-ylmethoxy)quinoxalin-2-amine
SMILESNc1nc2ccccc2nc1OCc1ccco1
InChIInChI=1S/C13H11N3O2/c14-12-13(18-8-9-4-3-7-17-9)16-11-6-2-1-5-10(11)15-12/h1-7H,8H2,(H2,14,15)
InChIKeyXOPOUHDNLPMJFC-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.38
Rot. Bonds3

About 3-(furan-2-ylmethoxy)quinoxalin-2-amine

3-(furan-2-ylmethoxy)quinoxalin-2-amine (PubChem CID 102987663) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 3-(furan-2-ylmethoxy)quinoxalin-2-amine.

Molecular Properties

Compound Name3-(furan-2-ylmethoxy)quinoxalin-2-amine
PubChem CID102987663
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name3-(furan-2-ylmethoxy)quinoxalin-2-amine
SMILESNc1nc2ccccc2nc1OCc1ccco1
InChIInChI=1S/C13H11N3O2/c14-12-13(18-8-9-4-3-7-17-9)16-11-6-2-1-5-10(11)15-12/h1-7H,8H2,(H2,14,15)
InChIKeyXOPOUHDNLPMJFC-UHFFFAOYSA-N
XLogP2.38
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethoxy)quinoxalin-2-amine?
The IUPAC name of 3-(furan-2-ylmethoxy)quinoxalin-2-amine (CID 102987663) is 3-(furan-2-ylmethoxy)quinoxalin-2-amine.
What is the SMILES notation for 3-(furan-2-ylmethoxy)quinoxalin-2-amine?
The canonical SMILES for 3-(furan-2-ylmethoxy)quinoxalin-2-amine is Nc1nc2ccccc2nc1OCc1ccco1.
What is the InChIKey of 3-(furan-2-ylmethoxy)quinoxalin-2-amine?
The InChIKey is XOPOUHDNLPMJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c14-12-13(18-8-9-4-3-7-17-9)16-11-6-2-1-5-10(11)15-12/h1-7H,8H2,(H2,14,15).
What are the key properties of 3-(furan-2-ylmethoxy)quinoxalin-2-amine?
3-(furan-2-ylmethoxy)quinoxalin-2-amine has a molecular weight of 241.25 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethoxy)quinoxalin-2-amine is sourced from PubChem (CID 102987663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).