(2-benzamido-2-oxoethyl) quinoxaline-6-carboxylate

C18H13N3O4 — CID 7676886

IUPAC(2-benzamido-2-oxoethyl) quinoxaline-6-carboxylate
SMILESO=C(COC(=O)c1ccc2nccnc2c1)NC(=O)c1ccccc1
InChIInChI=1S/C18H13N3O4/c22-16(21-17(23)12-4-2-1-3-5-12)11-25-18(24)13-6-7-14-15(10-13)20-9-8-19-14/h1-10H,11H2,(H,21,22,23)
InChIKeyOTXLGZMQMDKCJS-UHFFFAOYSA-N
MW335.32 g/mol
LogP1.74
Rot. Bonds4

About (2-benzamido-2-oxoethyl) quinoxaline-6-carboxylate

(2-benzamido-2-oxoethyl) quinoxaline-6-carboxylate (PubChem CID 7676886) has the molecular formula C18H13N3O4 and a molecular weight of 335.32 g/mol. Its IUPAC name is (2-benzamido-2-oxoethyl) quinoxaline-6-carboxylate.

Molecular Properties

Compound Name(2-benzamido-2-oxoethyl) quinoxaline-6-carboxylate
PubChem CID7676886
Molecular FormulaC18H13N3O4
Molecular Weight335.32 g/mol
Exact Mass335.09
IUPAC Name(2-benzamido-2-oxoethyl) quinoxaline-6-carboxylate
SMILESO=C(COC(=O)c1ccc2nccnc2c1)NC(=O)c1ccccc1
InChIInChI=1S/C18H13N3O4/c22-16(21-17(23)12-4-2-1-3-5-12)11-25-18(24)13-6-7-14-15(10-13)20-9-8-19-14/h1-10H,11H2,(H,21,22,23)
InChIKeyOTXLGZMQMDKCJS-UHFFFAOYSA-N
XLogP1.74
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.32
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] quinoxaline-6-carboxylate
CID 7677365
[2-oxo-2-(2-phenylsulfanylethylamino)ethyl] quinoxaline-6-carboxylate
CID 8953636
(2-benzamido-2-oxoethyl) pyridine-3-carboxylate
CID 9413804
[2-(2,6-dichloroanilino)-2-oxoethyl] quinoxaline-6-carboxylate
CID 7677317
[2-[[(1S)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] quinoxaline-6-carboxylate
CID 8538167
[2-(4-acetamidoanilino)-2-oxoethyl] quinoxaline-6-carboxylate
CID 7677388
[2-(2,6-diethylanilino)-2-oxoethyl] quinoxaline-6-carboxylate
CID 40991554
[2-(3-acetamidoanilino)-2-oxoethyl] quinoxaline-6-carboxylate
CID 7676574
(2-benzamido-2-oxoethyl) 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 46786678
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] quinoxaline-6-carboxylate
CID 7676763
[2-(N-methylanilino)-2-oxoethyl] quinoxaline-6-carboxylate
CID 7677118
(2-benzamido-2-oxoethyl) 4-phenylmethoxybenzoate
CID 7264153

Frequently Asked Questions

What is the IUPAC name of (2-benzamido-2-oxoethyl) quinoxaline-6-carboxylate?
The IUPAC name of (2-benzamido-2-oxoethyl) quinoxaline-6-carboxylate (CID 7676886) is (2-benzamido-2-oxoethyl) quinoxaline-6-carboxylate.
What is the SMILES notation for (2-benzamido-2-oxoethyl) quinoxaline-6-carboxylate?
The canonical SMILES for (2-benzamido-2-oxoethyl) quinoxaline-6-carboxylate is O=C(COC(=O)c1ccc2nccnc2c1)NC(=O)c1ccccc1.
What is the InChIKey of (2-benzamido-2-oxoethyl) quinoxaline-6-carboxylate?
The InChIKey is OTXLGZMQMDKCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O4/c22-16(21-17(23)12-4-2-1-3-5-12)11-25-18(24)13-6-7-14-15(10-13)20-9-8-19-14/h1-10H,11H2,(H,21,22,23).
What are the key properties of (2-benzamido-2-oxoethyl) quinoxaline-6-carboxylate?
(2-benzamido-2-oxoethyl) quinoxaline-6-carboxylate has a molecular weight of 335.32 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzamido-2-oxoethyl) quinoxaline-6-carboxylate is sourced from PubChem (CID 7676886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).