[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] quinoxaline-6-carboxylate

C20H18N2O3 — CID 7676596

IUPAC[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] quinoxaline-6-carboxylate
SMILESCc1cc(C)c(C(=O)COC(=O)c2ccc3nccnc3c2)cc1C
InChIInChI=1S/C20H18N2O3/c1-12-8-14(3)16(9-13(12)2)19(23)11-25-20(24)15-4-5-17-18(10-15)22-7-6-21-17/h4-10H,11H2,1-3H3
InChIKeyFSQLJJGZEYPGQK-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.59
Rot. Bonds4

About [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] quinoxaline-6-carboxylate

[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] quinoxaline-6-carboxylate (PubChem CID 7676596) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] quinoxaline-6-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] quinoxaline-6-carboxylate
PubChem CID7676596
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] quinoxaline-6-carboxylate
SMILESCc1cc(C)c(C(=O)COC(=O)c2ccc3nccnc3c2)cc1C
InChIInChI=1S/C20H18N2O3/c1-12-8-14(3)16(9-13(12)2)19(23)11-25-20(24)15-4-5-17-18(10-15)22-7-6-21-17/h4-10H,11H2,1-3H3
InChIKeyFSQLJJGZEYPGQK-UHFFFAOYSA-N
XLogP3.59
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-ethoxyphenyl)-2-oxoethyl] quinoxaline-6-carboxylate
CID 7676643
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 4-hydroxybenzoate
CID 2624699
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 6-chloropyridine-3-carboxylate
CID 2589575
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-methoxybenzoate
CID 16522195
[2-(4-ethoxycarbonyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl] quinoxaline-6-carboxylate
CID 7676604
[2-[1-[(4-fluorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] quinoxaline-6-carboxylate
CID 7676659
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 7706658
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-bromo-4-methoxybenzoate
CID 7647915
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-phenylmethoxybenzoate
CID 7240043
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-methyl-4-nitrobenzoate
CID 2488807
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 5,6-dichloropyridine-3-carboxylate
CID 8021517
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 4-(carbamoylamino)benzoate
CID 2527120

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] quinoxaline-6-carboxylate?
The IUPAC name of [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] quinoxaline-6-carboxylate (CID 7676596) is [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] quinoxaline-6-carboxylate.
What is the SMILES notation for [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] quinoxaline-6-carboxylate?
The canonical SMILES for [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] quinoxaline-6-carboxylate is Cc1cc(C)c(C(=O)COC(=O)c2ccc3nccnc3c2)cc1C.
What is the InChIKey of [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] quinoxaline-6-carboxylate?
The InChIKey is FSQLJJGZEYPGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-12-8-14(3)16(9-13(12)2)19(23)11-25-20(24)15-4-5-17-18(10-15)22-7-6-21-17/h4-10H,11H2,1-3H3.
What are the key properties of [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] quinoxaline-6-carboxylate?
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] quinoxaline-6-carboxylate has a molecular weight of 334.38 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] quinoxaline-6-carboxylate is sourced from PubChem (CID 7676596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).