(4-quinoxalin-2-ylphenyl) propanoate

C17H14N2O2 — CID 768876

IUPAC(4-quinoxalin-2-ylphenyl) propanoate
SMILESCCC(=O)Oc1ccc(-c2cnc3ccccc3n2)cc1
InChIInChI=1S/C17H14N2O2/c1-2-17(20)21-13-9-7-12(8-10-13)16-11-18-14-5-3-4-6-15(14)19-16/h3-11H,2H2,1H3
InChIKeyVGHUNHMCOJGJSJ-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.61
Rot. Bonds3

About (4-quinoxalin-2-ylphenyl) propanoate

(4-quinoxalin-2-ylphenyl) propanoate (PubChem CID 768876) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is (4-quinoxalin-2-ylphenyl) propanoate.

Molecular Properties

Compound Name(4-quinoxalin-2-ylphenyl) propanoate
PubChem CID768876
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name(4-quinoxalin-2-ylphenyl) propanoate
SMILESCCC(=O)Oc1ccc(-c2cnc3ccccc3n2)cc1
InChIInChI=1S/C17H14N2O2/c1-2-17(20)21-13-9-7-12(8-10-13)16-11-18-14-5-3-4-6-15(14)19-16/h3-11H,2H2,1H3
InChIKeyVGHUNHMCOJGJSJ-UHFFFAOYSA-N
XLogP3.61
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-quinoxalin-2-ylphenyl) propanoate?
The IUPAC name of (4-quinoxalin-2-ylphenyl) propanoate (CID 768876) is (4-quinoxalin-2-ylphenyl) propanoate.
What is the SMILES notation for (4-quinoxalin-2-ylphenyl) propanoate?
The canonical SMILES for (4-quinoxalin-2-ylphenyl) propanoate is CCC(=O)Oc1ccc(-c2cnc3ccccc3n2)cc1.
What is the InChIKey of (4-quinoxalin-2-ylphenyl) propanoate?
The InChIKey is VGHUNHMCOJGJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-2-17(20)21-13-9-7-12(8-10-13)16-11-18-14-5-3-4-6-15(14)19-16/h3-11H,2H2,1H3.
What are the key properties of (4-quinoxalin-2-ylphenyl) propanoate?
(4-quinoxalin-2-ylphenyl) propanoate has a molecular weight of 278.31 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-quinoxalin-2-ylphenyl) propanoate is sourced from PubChem (CID 768876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).