7-bromo-2-(2-methoxyethoxy)quinoxaline

C11H11BrN2O2 — CID 66664870

IUPAC7-bromo-2-(2-methoxyethoxy)quinoxaline
SMILESCOCCOc1cnc2ccc(Br)cc2n1
InChIInChI=1S/C11H11BrN2O2/c1-15-4-5-16-11-7-13-9-3-2-8(12)6-10(9)14-11/h2-3,6-7H,4-5H2,1H3
InChIKeyGYJOGEOFYHKPQB-UHFFFAOYSA-N
MW283.12 g/mol
LogP2.42
Rot. Bonds4

About 7-bromo-2-(2-methoxyethoxy)quinoxaline

7-bromo-2-(2-methoxyethoxy)quinoxaline (PubChem CID 66664870) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is 7-bromo-2-(2-methoxyethoxy)quinoxaline.

Molecular Properties

Compound Name7-bromo-2-(2-methoxyethoxy)quinoxaline
PubChem CID66664870
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC Name7-bromo-2-(2-methoxyethoxy)quinoxaline
SMILESCOCCOc1cnc2ccc(Br)cc2n1
InChIInChI=1S/C11H11BrN2O2/c1-15-4-5-16-11-7-13-9-3-2-8(12)6-10(9)14-11/h2-3,6-7H,4-5H2,1H3
InChIKeyGYJOGEOFYHKPQB-UHFFFAOYSA-N
XLogP2.42
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(2-methoxyethoxy)quinoxaline?
The IUPAC name of 7-bromo-2-(2-methoxyethoxy)quinoxaline (CID 66664870) is 7-bromo-2-(2-methoxyethoxy)quinoxaline.
What is the SMILES notation for 7-bromo-2-(2-methoxyethoxy)quinoxaline?
The canonical SMILES for 7-bromo-2-(2-methoxyethoxy)quinoxaline is COCCOc1cnc2ccc(Br)cc2n1.
What is the InChIKey of 7-bromo-2-(2-methoxyethoxy)quinoxaline?
The InChIKey is GYJOGEOFYHKPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c1-15-4-5-16-11-7-13-9-3-2-8(12)6-10(9)14-11/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 7-bromo-2-(2-methoxyethoxy)quinoxaline?
7-bromo-2-(2-methoxyethoxy)quinoxaline has a molecular weight of 283.12 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(2-methoxyethoxy)quinoxaline is sourced from PubChem (CID 66664870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).