2-(6-chloroquinoxalin-2-yl)oxyethyl propanoate

C13H13ClN2O3 — CID 175100340

IUPAC2-(6-chloroquinoxalin-2-yl)oxyethyl propanoate
SMILESCCC(=O)OCCOc1cnc2cc(Cl)ccc2n1
InChIInChI=1S/C13H13ClN2O3/c1-2-13(17)19-6-5-18-12-8-15-11-7-9(14)3-4-10(11)16-12/h3-4,7-8H,2,5-6H2,1H3
InChIKeyAXYGVQIHOIVOOI-UHFFFAOYSA-N
MW280.71 g/mol
LogP2.62
Rot. Bonds5

About 2-(6-chloroquinoxalin-2-yl)oxyethyl propanoate

2-(6-chloroquinoxalin-2-yl)oxyethyl propanoate (PubChem CID 175100340) has the molecular formula C13H13ClN2O3 and a molecular weight of 280.71 g/mol. Its IUPAC name is 2-(6-chloroquinoxalin-2-yl)oxyethyl propanoate.

Molecular Properties

Compound Name2-(6-chloroquinoxalin-2-yl)oxyethyl propanoate
PubChem CID175100340
Molecular FormulaC13H13ClN2O3
Molecular Weight280.71 g/mol
Exact Mass280.06
IUPAC Name2-(6-chloroquinoxalin-2-yl)oxyethyl propanoate
SMILESCCC(=O)OCCOc1cnc2cc(Cl)ccc2n1
InChIInChI=1S/C13H13ClN2O3/c1-2-13(17)19-6-5-18-12-8-15-11-7-9(14)3-4-10(11)16-12/h3-4,7-8H,2,5-6H2,1H3
InChIKeyAXYGVQIHOIVOOI-UHFFFAOYSA-N
XLogP2.62
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.71
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(6-chloroquinoxalin-2-yl)oxyethyl propanoate?
The IUPAC name of 2-(6-chloroquinoxalin-2-yl)oxyethyl propanoate (CID 175100340) is 2-(6-chloroquinoxalin-2-yl)oxyethyl propanoate.
What is the SMILES notation for 2-(6-chloroquinoxalin-2-yl)oxyethyl propanoate?
The canonical SMILES for 2-(6-chloroquinoxalin-2-yl)oxyethyl propanoate is CCC(=O)OCCOc1cnc2cc(Cl)ccc2n1.
What is the InChIKey of 2-(6-chloroquinoxalin-2-yl)oxyethyl propanoate?
The InChIKey is AXYGVQIHOIVOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3/c1-2-13(17)19-6-5-18-12-8-15-11-7-9(14)3-4-10(11)16-12/h3-4,7-8H,2,5-6H2,1H3.
What are the key properties of 2-(6-chloroquinoxalin-2-yl)oxyethyl propanoate?
2-(6-chloroquinoxalin-2-yl)oxyethyl propanoate has a molecular weight of 280.71 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloroquinoxalin-2-yl)oxyethyl propanoate is sourced from PubChem (CID 175100340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).