4-[3-(2-phenoxyethoxy)quinoxalin-2-yl]morpholine

C20H21N3O3 — CID 2562124

IUPAC4-[3-(2-phenoxyethoxy)quinoxalin-2-yl]morpholine
SMILESc1ccc(OCCOc2nc3ccccc3nc2N2CCOCC2)cc1
InChIInChI=1S/C20H21N3O3/c1-2-6-16(7-3-1)25-14-15-26-20-19(23-10-12-24-13-11-23)21-17-8-4-5-9-18(17)22-20/h1-9H,10-15H2
InChIKeyALFAINUKBRWQPH-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.92
Rot. Bonds6

About 4-[3-(2-phenoxyethoxy)quinoxalin-2-yl]morpholine

4-[3-(2-phenoxyethoxy)quinoxalin-2-yl]morpholine (PubChem CID 2562124) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-[3-(2-phenoxyethoxy)quinoxalin-2-yl]morpholine.

Molecular Properties

Compound Name4-[3-(2-phenoxyethoxy)quinoxalin-2-yl]morpholine
PubChem CID2562124
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name4-[3-(2-phenoxyethoxy)quinoxalin-2-yl]morpholine
SMILESc1ccc(OCCOc2nc3ccccc3nc2N2CCOCC2)cc1
InChIInChI=1S/C20H21N3O3/c1-2-6-16(7-3-1)25-14-15-26-20-19(23-10-12-24-13-11-23)21-17-8-4-5-9-18(17)22-20/h1-9H,10-15H2
InChIKeyALFAINUKBRWQPH-UHFFFAOYSA-N
XLogP2.92
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 4-[3-(2-phenoxyethoxy)quinoxalin-2-yl]morpholine?
The IUPAC name of 4-[3-(2-phenoxyethoxy)quinoxalin-2-yl]morpholine (CID 2562124) is 4-[3-(2-phenoxyethoxy)quinoxalin-2-yl]morpholine.
What is the SMILES notation for 4-[3-(2-phenoxyethoxy)quinoxalin-2-yl]morpholine?
The canonical SMILES for 4-[3-(2-phenoxyethoxy)quinoxalin-2-yl]morpholine is c1ccc(OCCOc2nc3ccccc3nc2N2CCOCC2)cc1.
What is the InChIKey of 4-[3-(2-phenoxyethoxy)quinoxalin-2-yl]morpholine?
The InChIKey is ALFAINUKBRWQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-2-6-16(7-3-1)25-14-15-26-20-19(23-10-12-24-13-11-23)21-17-8-4-5-9-18(17)22-20/h1-9H,10-15H2.
What are the key properties of 4-[3-(2-phenoxyethoxy)quinoxalin-2-yl]morpholine?
4-[3-(2-phenoxyethoxy)quinoxalin-2-yl]morpholine has a molecular weight of 351.41 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-phenoxyethoxy)quinoxalin-2-yl]morpholine is sourced from PubChem (CID 2562124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).