[1-(4-carbamoylanilino)-1-oxopropan-2-yl] quinoxaline-5-carboxylate

C19H16N4O4 — CID 23916006

IUPAC[1-(4-carbamoylanilino)-1-oxopropan-2-yl] quinoxaline-5-carboxylate
SMILESCC(OC(=O)c1cccc2nccnc12)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C19H16N4O4/c1-11(18(25)23-13-7-5-12(6-8-13)17(20)24)27-19(26)14-3-2-4-15-16(14)22-10-9-21-15/h2-11H,1H3,(H2,20,24)(H,23,25)
InChIKeyCZCLGULYTMOXED-UHFFFAOYSA-N
MW364.36 g/mol
LogP1.91
Rot. Bonds5

About [1-(4-carbamoylanilino)-1-oxopropan-2-yl] quinoxaline-5-carboxylate

[1-(4-carbamoylanilino)-1-oxopropan-2-yl] quinoxaline-5-carboxylate (PubChem CID 23916006) has the molecular formula C19H16N4O4 and a molecular weight of 364.36 g/mol. Its IUPAC name is [1-(4-carbamoylanilino)-1-oxopropan-2-yl] quinoxaline-5-carboxylate.

Molecular Properties

Compound Name[1-(4-carbamoylanilino)-1-oxopropan-2-yl] quinoxaline-5-carboxylate
PubChem CID23916006
Molecular FormulaC19H16N4O4
Molecular Weight364.36 g/mol
Exact Mass364.12
IUPAC Name[1-(4-carbamoylanilino)-1-oxopropan-2-yl] quinoxaline-5-carboxylate
SMILESCC(OC(=O)c1cccc2nccnc12)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C19H16N4O4/c1-11(18(25)23-13-7-5-12(6-8-13)17(20)24)27-19(26)14-3-2-4-15-16(14)22-10-9-21-15/h2-11H,1H3,(H2,20,24)(H,23,25)
InChIKeyCZCLGULYTMOXED-UHFFFAOYSA-N
XLogP1.91
TPSA124.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(3-methylanilino)-1-oxopropan-2-yl] quinoxaline-5-carboxylate
CID 23971966
[1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] quinoxaline-5-carboxylate
CID 23916064
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2,3-dimethylbenzoate
CID 7765209
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(methylamino)benzoate
CID 7670970
[1-(2-methoxycarbonylanilino)-1-oxopropan-2-yl] quinoxaline-5-carboxylate
CID 23803011
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-benzoylbenzoate
CID 7865529
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-ethylsulfonylbenzoate
CID 8857074
[1-(2-ethoxyanilino)-1-oxopropan-2-yl] quinoxaline-5-carboxylate
CID 23943940
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(difluoromethoxy)benzoate
CID 7609616
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-phenylquinoline-4-carboxylate
CID 30394729
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-acetamidobenzoate
CID 7842519
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 4-methoxynaphthalene-1-carboxylate
CID 8596984

Frequently Asked Questions

What is the IUPAC name of [1-(4-carbamoylanilino)-1-oxopropan-2-yl] quinoxaline-5-carboxylate?
The IUPAC name of [1-(4-carbamoylanilino)-1-oxopropan-2-yl] quinoxaline-5-carboxylate (CID 23916006) is [1-(4-carbamoylanilino)-1-oxopropan-2-yl] quinoxaline-5-carboxylate.
What is the SMILES notation for [1-(4-carbamoylanilino)-1-oxopropan-2-yl] quinoxaline-5-carboxylate?
The canonical SMILES for [1-(4-carbamoylanilino)-1-oxopropan-2-yl] quinoxaline-5-carboxylate is CC(OC(=O)c1cccc2nccnc12)C(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of [1-(4-carbamoylanilino)-1-oxopropan-2-yl] quinoxaline-5-carboxylate?
The InChIKey is CZCLGULYTMOXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O4/c1-11(18(25)23-13-7-5-12(6-8-13)17(20)24)27-19(26)14-3-2-4-15-16(14)22-10-9-21-15/h2-11H,1H3,(H2,20,24)(H,23,25).
What are the key properties of [1-(4-carbamoylanilino)-1-oxopropan-2-yl] quinoxaline-5-carboxylate?
[1-(4-carbamoylanilino)-1-oxopropan-2-yl] quinoxaline-5-carboxylate has a molecular weight of 364.36 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-carbamoylanilino)-1-oxopropan-2-yl] quinoxaline-5-carboxylate is sourced from PubChem (CID 23916006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).