[2-(N-methylanilino)-2-oxoethyl] quinoxaline-6-carboxylate

C18H15N3O3 — CID 7677118

IUPAC[2-(N-methylanilino)-2-oxoethyl] quinoxaline-6-carboxylate
SMILESCN(C(=O)COC(=O)c1ccc2nccnc2c1)c1ccccc1
InChIInChI=1S/C18H15N3O3/c1-21(14-5-3-2-4-6-14)17(22)12-24-18(23)13-7-8-15-16(11-13)20-10-9-19-15/h2-11H,12H2,1H3
InChIKeyURFFVOKXDYYSMG-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.45
Rot. Bonds4

About [2-(N-methylanilino)-2-oxoethyl] quinoxaline-6-carboxylate

[2-(N-methylanilino)-2-oxoethyl] quinoxaline-6-carboxylate (PubChem CID 7677118) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is [2-(N-methylanilino)-2-oxoethyl] quinoxaline-6-carboxylate.

Molecular Properties

Compound Name[2-(N-methylanilino)-2-oxoethyl] quinoxaline-6-carboxylate
PubChem CID7677118
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC Name[2-(N-methylanilino)-2-oxoethyl] quinoxaline-6-carboxylate
SMILESCN(C(=O)COC(=O)c1ccc2nccnc2c1)c1ccccc1
InChIInChI=1S/C18H15N3O3/c1-21(14-5-3-2-4-6-14)17(22)12-24-18(23)13-7-8-15-16(11-13)20-10-9-19-15/h2-11H,12H2,1H3
InChIKeyURFFVOKXDYYSMG-UHFFFAOYSA-N
XLogP2.45
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(N-methylanilino)-2-oxoethyl] 3-methylbenzoate
CID 46860545
[2-(N-methylanilino)-2-oxoethyl] 4-(dimethylamino)benzoate
CID 2519333
[2-(N-methylanilino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 2501259
(2-benzamido-2-oxoethyl) quinoxaline-6-carboxylate
CID 7676886
[2-(N-methylanilino)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate
CID 2407310
[2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl] quinoxaline-6-carboxylate
CID 9457603
[2-(N-methylanilino)-2-oxoethyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate
CID 43026537
[2-(N-methylanilino)-2-oxoethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 2589269
[2-(N-methylanilino)-2-oxoethyl] 4-(trifluoromethyl)benzoate
CID 71823629
[2-(4-ethoxyphenyl)-2-oxoethyl] quinoxaline-6-carboxylate
CID 7676643
N-methyl-N-phenyl-2-quinolin-6-yloxyacetamide
CID 112978659
[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] quinoxaline-6-carboxylate
CID 7677365

Frequently Asked Questions

What is the IUPAC name of [2-(N-methylanilino)-2-oxoethyl] quinoxaline-6-carboxylate?
The IUPAC name of [2-(N-methylanilino)-2-oxoethyl] quinoxaline-6-carboxylate (CID 7677118) is [2-(N-methylanilino)-2-oxoethyl] quinoxaline-6-carboxylate.
What is the SMILES notation for [2-(N-methylanilino)-2-oxoethyl] quinoxaline-6-carboxylate?
The canonical SMILES for [2-(N-methylanilino)-2-oxoethyl] quinoxaline-6-carboxylate is CN(C(=O)COC(=O)c1ccc2nccnc2c1)c1ccccc1.
What is the InChIKey of [2-(N-methylanilino)-2-oxoethyl] quinoxaline-6-carboxylate?
The InChIKey is URFFVOKXDYYSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c1-21(14-5-3-2-4-6-14)17(22)12-24-18(23)13-7-8-15-16(11-13)20-10-9-19-15/h2-11H,12H2,1H3.
What are the key properties of [2-(N-methylanilino)-2-oxoethyl] quinoxaline-6-carboxylate?
[2-(N-methylanilino)-2-oxoethyl] quinoxaline-6-carboxylate has a molecular weight of 321.34 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-methylanilino)-2-oxoethyl] quinoxaline-6-carboxylate is sourced from PubChem (CID 7677118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).