[2-(4-cyclohexylphenyl)-2-oxoethyl] quinoxaline-6-carboxylate

C23H22N2O3 — CID 7676785

IUPAC[2-(4-cyclohexylphenyl)-2-oxoethyl] quinoxaline-6-carboxylate
SMILESO=C(COC(=O)c1ccc2nccnc2c1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C23H22N2O3/c26-22(18-8-6-17(7-9-18)16-4-2-1-3-5-16)15-28-23(27)19-10-11-20-21(14-19)25-13-12-24-20/h6-14,16H,1-5,15H2
InChIKeyYMPQBDDYKMUIPP-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.72
Rot. Bonds5

About [2-(4-cyclohexylphenyl)-2-oxoethyl] quinoxaline-6-carboxylate

[2-(4-cyclohexylphenyl)-2-oxoethyl] quinoxaline-6-carboxylate (PubChem CID 7676785) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is [2-(4-cyclohexylphenyl)-2-oxoethyl] quinoxaline-6-carboxylate.

Molecular Properties

Compound Name[2-(4-cyclohexylphenyl)-2-oxoethyl] quinoxaline-6-carboxylate
PubChem CID7676785
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name[2-(4-cyclohexylphenyl)-2-oxoethyl] quinoxaline-6-carboxylate
SMILESO=C(COC(=O)c1ccc2nccnc2c1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C23H22N2O3/c26-22(18-8-6-17(7-9-18)16-4-2-1-3-5-16)15-28-23(27)19-10-11-20-21(14-19)25-13-12-24-20/h6-14,16H,1-5,15H2
InChIKeyYMPQBDDYKMUIPP-UHFFFAOYSA-N
XLogP4.72
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(4-cyclohexylphenyl)-2-oxoethyl] quinoxaline-6-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(4-cyclohexylphenyl)-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate
CID 18230047
[2-(4-cyclohexylphenyl)-2-oxoethyl] 3-chlorobenzoate
CID 1327389
[2-(4-cyclohexylphenyl)-2-oxoethyl] 3-iodobenzoate
CID 4673675
[2-(4-cyclohexylphenyl)-2-oxoethyl] 3-acetamidobenzoate
CID 18206257
[2-(4-ethoxyphenyl)-2-oxoethyl] quinoxaline-6-carboxylate
CID 7676643
[2-(4-cyclohexylphenyl)-2-oxoethyl] 3-(azepan-1-ylsulfonyl)benzoate
CID 3997884
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] quinoxaline-6-carboxylate
CID 7676596
[2-(4-cyclohexylphenyl)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 3684891
[2-(4-cyclohexylphenyl)-2-oxoethyl] 4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxylate
CID 55818201
[2-(4-cyclohexylphenyl)-2-oxoethyl] 9,10,10-trioxothioxanthene-3-carboxylate
CID 3985070
[2-(4-cyclohexylphenyl)-2-oxoethyl] 1,3,5-trimethylpyrazole-4-carboxylate
CID 24579450
[2-(4-cyclohexylphenyl)-2-oxoethyl] 2,3-dimethoxybenzoate
CID 7042563

Frequently Asked Questions

What is the IUPAC name of [2-(4-cyclohexylphenyl)-2-oxoethyl] quinoxaline-6-carboxylate?
The IUPAC name of [2-(4-cyclohexylphenyl)-2-oxoethyl] quinoxaline-6-carboxylate (CID 7676785) is [2-(4-cyclohexylphenyl)-2-oxoethyl] quinoxaline-6-carboxylate.
What is the SMILES notation for [2-(4-cyclohexylphenyl)-2-oxoethyl] quinoxaline-6-carboxylate?
The canonical SMILES for [2-(4-cyclohexylphenyl)-2-oxoethyl] quinoxaline-6-carboxylate is O=C(COC(=O)c1ccc2nccnc2c1)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of [2-(4-cyclohexylphenyl)-2-oxoethyl] quinoxaline-6-carboxylate?
The InChIKey is YMPQBDDYKMUIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c26-22(18-8-6-17(7-9-18)16-4-2-1-3-5-16)15-28-23(27)19-10-11-20-21(14-19)25-13-12-24-20/h6-14,16H,1-5,15H2.
What are the key properties of [2-(4-cyclohexylphenyl)-2-oxoethyl] quinoxaline-6-carboxylate?
[2-(4-cyclohexylphenyl)-2-oxoethyl] quinoxaline-6-carboxylate has a molecular weight of 374.44 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-cyclohexylphenyl)-2-oxoethyl] quinoxaline-6-carboxylate is sourced from PubChem (CID 7676785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).