[2-oxo-2-(2-phenylanilino)ethyl] quinoxaline-2-carboxylate

C23H17N3O3 — CID 30031920

IUPAC[2-oxo-2-(2-phenylanilino)ethyl] quinoxaline-2-carboxylate
SMILESO=C(COC(=O)c1cnc2ccccc2n1)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C23H17N3O3/c27-22(26-18-11-5-4-10-17(18)16-8-2-1-3-9-16)15-29-23(28)21-14-24-19-12-6-7-13-20(19)25-21/h1-14H,15H2,(H,26,27)
InChIKeyBQOALGXUQPNSRC-UHFFFAOYSA-N
MW383.41 g/mol
LogP4.09
Rot. Bonds5

About [2-oxo-2-(2-phenylanilino)ethyl] quinoxaline-2-carboxylate

[2-oxo-2-(2-phenylanilino)ethyl] quinoxaline-2-carboxylate (PubChem CID 30031920) has the molecular formula C23H17N3O3 and a molecular weight of 383.41 g/mol. Its IUPAC name is [2-oxo-2-(2-phenylanilino)ethyl] quinoxaline-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenylanilino)ethyl] quinoxaline-2-carboxylate
PubChem CID30031920
Molecular FormulaC23H17N3O3
Molecular Weight383.41 g/mol
Exact Mass383.13
IUPAC Name[2-oxo-2-(2-phenylanilino)ethyl] quinoxaline-2-carboxylate
SMILESO=C(COC(=O)c1cnc2ccccc2n1)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C23H17N3O3/c27-22(26-18-11-5-4-10-17(18)16-8-2-1-3-9-16)15-29-23(28)21-14-24-19-12-6-7-13-20(19)25-21/h1-14H,15H2,(H,26,27)
InChIKeyBQOALGXUQPNSRC-UHFFFAOYSA-N
XLogP4.09
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] quinoxaline-2-carboxylate
CID 23773548
[2-(2,4-dimethoxyanilino)-2-oxoethyl] quinoxaline-2-carboxylate
CID 17417789
[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl] quinoxaline-2-carboxylate
CID 23859774
[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl] quinoxaline-2-carboxylate
CID 23859831
[2-oxo-2-(2-phenylanilino)ethyl] 1-oxidopyridin-1-ium-4-carboxylate
CID 8791870
[2-oxo-2-(2-phenylanilino)ethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 16533544
[2-(3-methylsulfanylanilino)-2-oxoethyl] quinoxaline-2-carboxylate
CID 30031478
[2-(4-bromo-3-methylanilino)-2-oxoethyl] quinoxaline-2-carboxylate
CID 30031003
[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] quinoxaline-2-carboxylate
CID 30030798
[2-oxo-2-(2-phenylanilino)ethyl] 2,6-dimethoxybenzoate
CID 8002666
[2-oxo-2-(2-phenylanilino)ethyl] 1-benzofuran-2-carboxylate
CID 7193648
[2-oxo-2-(2-phenylanilino)ethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7726467

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenylanilino)ethyl] quinoxaline-2-carboxylate?
The IUPAC name of [2-oxo-2-(2-phenylanilino)ethyl] quinoxaline-2-carboxylate (CID 30031920) is [2-oxo-2-(2-phenylanilino)ethyl] quinoxaline-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(2-phenylanilino)ethyl] quinoxaline-2-carboxylate?
The canonical SMILES for [2-oxo-2-(2-phenylanilino)ethyl] quinoxaline-2-carboxylate is O=C(COC(=O)c1cnc2ccccc2n1)Nc1ccccc1-c1ccccc1.
What is the InChIKey of [2-oxo-2-(2-phenylanilino)ethyl] quinoxaline-2-carboxylate?
The InChIKey is BQOALGXUQPNSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O3/c27-22(26-18-11-5-4-10-17(18)16-8-2-1-3-9-16)15-29-23(28)21-14-24-19-12-6-7-13-20(19)25-21/h1-14H,15H2,(H,26,27).
What are the key properties of [2-oxo-2-(2-phenylanilino)ethyl] quinoxaline-2-carboxylate?
[2-oxo-2-(2-phenylanilino)ethyl] quinoxaline-2-carboxylate has a molecular weight of 383.41 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenylanilino)ethyl] quinoxaline-2-carboxylate is sourced from PubChem (CID 30031920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).