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

C20H19N3O4 — CID 23943940

IUPAC[1-(2-ethoxyanilino)-1-oxopropan-2-yl] quinoxaline-5-carboxylate
SMILESCCOc1ccccc1NC(=O)C(C)OC(=O)c1cccc2nccnc12
InChIInChI=1S/C20H19N3O4/c1-3-26-17-10-5-4-8-15(17)23-19(24)13(2)27-20(25)14-7-6-9-16-18(14)22-12-11-21-16/h4-13H,3H2,1-2H3,(H,23,24)
InChIKeyVHTLNTLGRAKEHT-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.21
Rot. Bonds6

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

[1-(2-ethoxyanilino)-1-oxopropan-2-yl] quinoxaline-5-carboxylate (PubChem CID 23943940) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is [1-(2-ethoxyanilino)-1-oxopropan-2-yl] quinoxaline-5-carboxylate.

Molecular Properties

Compound Name[1-(2-ethoxyanilino)-1-oxopropan-2-yl] quinoxaline-5-carboxylate
PubChem CID23943940
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name[1-(2-ethoxyanilino)-1-oxopropan-2-yl] quinoxaline-5-carboxylate
SMILESCCOc1ccccc1NC(=O)C(C)OC(=O)c1cccc2nccnc12
InChIInChI=1S/C20H19N3O4/c1-3-26-17-10-5-4-8-15(17)23-19(24)13(2)27-20(25)14-7-6-9-16-18(14)22-12-11-21-16/h4-13H,3H2,1-2H3,(H,23,24)
InChIKeyVHTLNTLGRAKEHT-UHFFFAOYSA-N
XLogP3.21
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(2-methoxycarbonylanilino)-1-oxopropan-2-yl] quinoxaline-5-carboxylate
CID 23803011
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-ethoxybenzoate
CID 2629891
[1-(3-methylanilino)-1-oxopropan-2-yl] quinoxaline-5-carboxylate
CID 23971966
[(2R)-1-[2-[(2R)-butan-2-yl]anilino]-1-oxopropan-2-yl] 2-ethoxybenzoate
CID 8606945
[1-(4-carbamoylanilino)-1-oxopropan-2-yl] quinoxaline-5-carboxylate
CID 23916006
[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 4-chlorobenzoate
CID 4103293
[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 4-amino-3,5,6-trichloropyridine-2-carboxylate
CID 46629727
[(2R)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] thiophene-3-carboxylate
CID 9383460
[1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] quinoxaline-5-carboxylate
CID 23916064
[(2R)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 8987740
[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 4-(5-methylpyrazol-1-yl)benzoate
CID 55425061
[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-fluoro-5-sulfamoylbenzoate
CID 46625044

Frequently Asked Questions

What is the IUPAC name of [1-(2-ethoxyanilino)-1-oxopropan-2-yl] quinoxaline-5-carboxylate?
The IUPAC name of [1-(2-ethoxyanilino)-1-oxopropan-2-yl] quinoxaline-5-carboxylate (CID 23943940) is [1-(2-ethoxyanilino)-1-oxopropan-2-yl] quinoxaline-5-carboxylate.
What is the SMILES notation for [1-(2-ethoxyanilino)-1-oxopropan-2-yl] quinoxaline-5-carboxylate?
The canonical SMILES for [1-(2-ethoxyanilino)-1-oxopropan-2-yl] quinoxaline-5-carboxylate is CCOc1ccccc1NC(=O)C(C)OC(=O)c1cccc2nccnc12.
What is the InChIKey of [1-(2-ethoxyanilino)-1-oxopropan-2-yl] quinoxaline-5-carboxylate?
The InChIKey is VHTLNTLGRAKEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-3-26-17-10-5-4-8-15(17)23-19(24)13(2)27-20(25)14-7-6-9-16-18(14)22-12-11-21-16/h4-13H,3H2,1-2H3,(H,23,24).
What are the key properties of [1-(2-ethoxyanilino)-1-oxopropan-2-yl] quinoxaline-5-carboxylate?
[1-(2-ethoxyanilino)-1-oxopropan-2-yl] quinoxaline-5-carboxylate has a molecular weight of 365.39 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethoxyanilino)-1-oxopropan-2-yl] quinoxaline-5-carboxylate is sourced from PubChem (CID 23943940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).