2-chloro-3-(2-phenoxyethoxy)quinoxaline

C16H13ClN2O2 — CID 22036340

IUPAC2-chloro-3-(2-phenoxyethoxy)quinoxaline
SMILESClc1nc2ccccc2nc1OCCOc1ccccc1
InChIInChI=1S/C16H13ClN2O2/c17-15-16(19-14-9-5-4-8-13(14)18-15)21-11-10-20-12-6-2-1-3-7-12/h1-9H,10-11H2
InChIKeyBERFEFNGRWNPKN-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.74
Rot. Bonds5

About 2-chloro-3-(2-phenoxyethoxy)quinoxaline

2-chloro-3-(2-phenoxyethoxy)quinoxaline (PubChem CID 22036340) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is 2-chloro-3-(2-phenoxyethoxy)quinoxaline.

Molecular Properties

Compound Name2-chloro-3-(2-phenoxyethoxy)quinoxaline
PubChem CID22036340
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name2-chloro-3-(2-phenoxyethoxy)quinoxaline
SMILESClc1nc2ccccc2nc1OCCOc1ccccc1
InChIInChI=1S/C16H13ClN2O2/c17-15-16(19-14-9-5-4-8-13(14)18-15)21-11-10-20-12-6-2-1-3-7-12/h1-9H,10-11H2
InChIKeyBERFEFNGRWNPKN-UHFFFAOYSA-N
XLogP3.74
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.74
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 2-chloro-3-(2-phenoxyethoxy)quinoxaline?
The IUPAC name of 2-chloro-3-(2-phenoxyethoxy)quinoxaline (CID 22036340) is 2-chloro-3-(2-phenoxyethoxy)quinoxaline.
What is the SMILES notation for 2-chloro-3-(2-phenoxyethoxy)quinoxaline?
The canonical SMILES for 2-chloro-3-(2-phenoxyethoxy)quinoxaline is Clc1nc2ccccc2nc1OCCOc1ccccc1.
What is the InChIKey of 2-chloro-3-(2-phenoxyethoxy)quinoxaline?
The InChIKey is BERFEFNGRWNPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c17-15-16(19-14-9-5-4-8-13(14)18-15)21-11-10-20-12-6-2-1-3-7-12/h1-9H,10-11H2.
What are the key properties of 2-chloro-3-(2-phenoxyethoxy)quinoxaline?
2-chloro-3-(2-phenoxyethoxy)quinoxaline has a molecular weight of 300.75 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(2-phenoxyethoxy)quinoxaline is sourced from PubChem (CID 22036340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).