[1-(2-methoxycarbonylanilino)-1-oxopropan-2-yl] quinoxaline-5-carboxylate

C20H17N3O5 — CID 23803011

IUPAC[1-(2-methoxycarbonylanilino)-1-oxopropan-2-yl] quinoxaline-5-carboxylate
SMILESCOC(=O)c1ccccc1NC(=O)C(C)OC(=O)c1cccc2nccnc12
InChIInChI=1S/C20H17N3O5/c1-12(18(24)23-15-8-4-3-6-13(15)19(25)27-2)28-20(26)14-7-5-9-16-17(14)22-11-10-21-16/h3-12H,1-2H3,(H,23,24)
InChIKeyJAUZKSPNEZFVHO-UHFFFAOYSA-N
MW379.37 g/mol
LogP2.60
Rot. Bonds5

About [1-(2-methoxycarbonylanilino)-1-oxopropan-2-yl] quinoxaline-5-carboxylate

[1-(2-methoxycarbonylanilino)-1-oxopropan-2-yl] quinoxaline-5-carboxylate (PubChem CID 23803011) has the molecular formula C20H17N3O5 and a molecular weight of 379.37 g/mol. Its IUPAC name is [1-(2-methoxycarbonylanilino)-1-oxopropan-2-yl] quinoxaline-5-carboxylate.

Molecular Properties

Compound Name[1-(2-methoxycarbonylanilino)-1-oxopropan-2-yl] quinoxaline-5-carboxylate
PubChem CID23803011
Molecular FormulaC20H17N3O5
Molecular Weight379.37 g/mol
Exact Mass379.12
IUPAC Name[1-(2-methoxycarbonylanilino)-1-oxopropan-2-yl] quinoxaline-5-carboxylate
SMILESCOC(=O)c1ccccc1NC(=O)C(C)OC(=O)c1cccc2nccnc12
InChIInChI=1S/C20H17N3O5/c1-12(18(24)23-15-8-4-3-6-13(15)19(25)27-2)28-20(26)14-7-5-9-16-17(14)22-11-10-21-16/h3-12H,1-2H3,(H,23,24)
InChIKeyJAUZKSPNEZFVHO-UHFFFAOYSA-N
XLogP2.60
TPSA107.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[1-(2-ethoxyanilino)-1-oxopropan-2-yl] quinoxaline-5-carboxylate
CID 23943940
[1-(3-methylanilino)-1-oxopropan-2-yl] quinoxaline-5-carboxylate
CID 23971966
[1-(4-carbamoylanilino)-1-oxopropan-2-yl] quinoxaline-5-carboxylate
CID 23916006
methyl 2-[[(2S)-2-acetyloxypropanoyl]amino]benzoate
CID 129389746
methyl 2-(2-acetyloxypropanoylamino)benzoate
CID 23255845
[1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] quinoxaline-5-carboxylate
CID 23916064
methyl 2-[2-(4-ethoxyphenoxy)propanoylamino]benzoate
CID 53267145
(1-oxo-1-phenothiazin-10-ylpropan-2-yl) quinoxaline-5-carboxylate
CID 23803142
[(2S)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] quinoline-8-carboxylate
CID 9061886
[(2R)-1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 1-methylindole-3-carboxylate
CID 34021587
[(2R)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] quinoline-8-carboxylate
CID 9061835
[1-(2-fluoroanilino)-1-oxopropan-2-yl] 1,3-benzoxazole-4-carboxylate
CID 23916024

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxycarbonylanilino)-1-oxopropan-2-yl] quinoxaline-5-carboxylate?
The IUPAC name of [1-(2-methoxycarbonylanilino)-1-oxopropan-2-yl] quinoxaline-5-carboxylate (CID 23803011) is [1-(2-methoxycarbonylanilino)-1-oxopropan-2-yl] quinoxaline-5-carboxylate.
What is the SMILES notation for [1-(2-methoxycarbonylanilino)-1-oxopropan-2-yl] quinoxaline-5-carboxylate?
The canonical SMILES for [1-(2-methoxycarbonylanilino)-1-oxopropan-2-yl] quinoxaline-5-carboxylate is COC(=O)c1ccccc1NC(=O)C(C)OC(=O)c1cccc2nccnc12.
What is the InChIKey of [1-(2-methoxycarbonylanilino)-1-oxopropan-2-yl] quinoxaline-5-carboxylate?
The InChIKey is JAUZKSPNEZFVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O5/c1-12(18(24)23-15-8-4-3-6-13(15)19(25)27-2)28-20(26)14-7-5-9-16-17(14)22-11-10-21-16/h3-12H,1-2H3,(H,23,24).
What are the key properties of [1-(2-methoxycarbonylanilino)-1-oxopropan-2-yl] quinoxaline-5-carboxylate?
[1-(2-methoxycarbonylanilino)-1-oxopropan-2-yl] quinoxaline-5-carboxylate has a molecular weight of 379.37 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxycarbonylanilino)-1-oxopropan-2-yl] quinoxaline-5-carboxylate is sourced from PubChem (CID 23803011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).