[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(2-chloro-6-fluorophenyl)acetate

C18H14ClFN2O4 — CID 4785653

IUPAC[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(2-chloro-6-fluorophenyl)acetate
SMILESO=C1CN(C(=O)COC(=O)Cc2c(F)cccc2Cl)c2ccccc2N1
InChIInChI=1S/C18H14ClFN2O4/c19-12-4-3-5-13(20)11(12)8-18(25)26-10-17(24)22-9-16(23)21-14-6-1-2-7-15(14)22/h1-7H,8-10H2,(H,21,23)
InChIKeyCYALZKYVIJQPQJ-UHFFFAOYSA-N
MW376.77 g/mol
LogP2.55
Rot. Bonds4

About [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(2-chloro-6-fluorophenyl)acetate

[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(2-chloro-6-fluorophenyl)acetate (PubChem CID 4785653) has the molecular formula C18H14ClFN2O4 and a molecular weight of 376.77 g/mol. Its IUPAC name is [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(2-chloro-6-fluorophenyl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(2-chloro-6-fluorophenyl)acetate
PubChem CID4785653
Molecular FormulaC18H14ClFN2O4
Molecular Weight376.77 g/mol
Exact Mass376.06
IUPAC Name[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(2-chloro-6-fluorophenyl)acetate
SMILESO=C1CN(C(=O)COC(=O)Cc2c(F)cccc2Cl)c2ccccc2N1
InChIInChI=1S/C18H14ClFN2O4/c19-12-4-3-5-13(20)11(12)8-18(25)26-10-17(24)22-9-16(23)21-14-6-1-2-7-15(14)22/h1-7H,8-10H2,(H,21,23)
InChIKeyCYALZKYVIJQPQJ-UHFFFAOYSA-N
XLogP2.55
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.77
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(2-chloro-6-fluorophenyl)acetate?
The IUPAC name of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(2-chloro-6-fluorophenyl)acetate (CID 4785653) is [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(2-chloro-6-fluorophenyl)acetate.
What is the SMILES notation for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(2-chloro-6-fluorophenyl)acetate?
The canonical SMILES for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(2-chloro-6-fluorophenyl)acetate is O=C1CN(C(=O)COC(=O)Cc2c(F)cccc2Cl)c2ccccc2N1.
What is the InChIKey of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(2-chloro-6-fluorophenyl)acetate?
The InChIKey is CYALZKYVIJQPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O4/c19-12-4-3-5-13(20)11(12)8-18(25)26-10-17(24)22-9-16(23)21-14-6-1-2-7-15(14)22/h1-7H,8-10H2,(H,21,23).
What are the key properties of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(2-chloro-6-fluorophenyl)acetate?
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(2-chloro-6-fluorophenyl)acetate has a molecular weight of 376.77 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(2-chloro-6-fluorophenyl)acetate is sourced from PubChem (CID 4785653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).