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

C17H12ClFN2O4 — CID 2500874

IUPAC[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-chloro-6-fluorobenzoate
SMILESO=C1CN(C(=O)COC(=O)c2c(F)cccc2Cl)c2ccccc2N1
InChIInChI=1S/C17H12ClFN2O4/c18-10-4-3-5-11(19)16(10)17(24)25-9-15(23)21-8-14(22)20-12-6-1-2-7-13(12)21/h1-7H,8-9H2,(H,20,22)
InChIKeyGIFAWFNMBXFVOO-UHFFFAOYSA-N
MW362.74 g/mol
LogP2.62
Rot. Bonds3

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

[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-chloro-6-fluorobenzoate (PubChem CID 2500874) has the molecular formula C17H12ClFN2O4 and a molecular weight of 362.74 g/mol. Its IUPAC name is [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-chloro-6-fluorobenzoate.

Molecular Properties

Compound Name[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-chloro-6-fluorobenzoate
PubChem CID2500874
Molecular FormulaC17H12ClFN2O4
Molecular Weight362.74 g/mol
Exact Mass362.05
IUPAC Name[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-chloro-6-fluorobenzoate
SMILESO=C1CN(C(=O)COC(=O)c2c(F)cccc2Cl)c2ccccc2N1
InChIInChI=1S/C17H12ClFN2O4/c18-10-4-3-5-11(19)16(10)17(24)25-9-15(23)21-8-14(22)20-12-6-1-2-7-13(12)21/h1-7H,8-9H2,(H,20,22)
InChIKeyGIFAWFNMBXFVOO-UHFFFAOYSA-N
XLogP2.62
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.74
LogP ≤ 52.62
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-chloro-6-fluorobenzoate?
The IUPAC name of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-chloro-6-fluorobenzoate (CID 2500874) is [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-chloro-6-fluorobenzoate.
What is the SMILES notation for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-chloro-6-fluorobenzoate?
The canonical SMILES for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-chloro-6-fluorobenzoate is O=C1CN(C(=O)COC(=O)c2c(F)cccc2Cl)c2ccccc2N1.
What is the InChIKey of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-chloro-6-fluorobenzoate?
The InChIKey is GIFAWFNMBXFVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN2O4/c18-10-4-3-5-11(19)16(10)17(24)25-9-15(23)21-8-14(22)20-12-6-1-2-7-13(12)21/h1-7H,8-9H2,(H,20,22).
What are the key properties of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-chloro-6-fluorobenzoate?
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-chloro-6-fluorobenzoate has a molecular weight of 362.74 g/mol, XLogP of 2.62, 3 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-chloro-6-fluorobenzoate is sourced from PubChem (CID 2500874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).