[2-(cyclopropylamino)-2-oxo-1-phenylethyl] quinoxaline-6-carboxylate

C20H17N3O3 — CID 47009412

IUPAC[2-(cyclopropylamino)-2-oxo-1-phenylethyl] quinoxaline-6-carboxylate
SMILESO=C(OC(C(=O)NC1CC1)c1ccccc1)c1ccc2nccnc2c1
InChIInChI=1S/C20H17N3O3/c24-19(23-15-7-8-15)18(13-4-2-1-3-5-13)26-20(25)14-6-9-16-17(12-14)22-11-10-21-16/h1-6,9-12,15,18H,7-8H2,(H,23,24)
InChIKeyZSJYUHPUXAAQPH-UHFFFAOYSA-N
MW347.37 g/mol
LogP2.81
Rot. Bonds5

About [2-(cyclopropylamino)-2-oxo-1-phenylethyl] quinoxaline-6-carboxylate

[2-(cyclopropylamino)-2-oxo-1-phenylethyl] quinoxaline-6-carboxylate (PubChem CID 47009412) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxo-1-phenylethyl] quinoxaline-6-carboxylate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxo-1-phenylethyl] quinoxaline-6-carboxylate
PubChem CID47009412
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name[2-(cyclopropylamino)-2-oxo-1-phenylethyl] quinoxaline-6-carboxylate
SMILESO=C(OC(C(=O)NC1CC1)c1ccccc1)c1ccc2nccnc2c1
InChIInChI=1S/C20H17N3O3/c24-19(23-15-7-8-15)18(13-4-2-1-3-5-13)26-20(25)14-6-9-16-17(12-14)22-11-10-21-16/h1-6,9-12,15,18H,7-8H2,(H,23,24)
InChIKeyZSJYUHPUXAAQPH-UHFFFAOYSA-N
XLogP2.81
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-amino-1,3-benzothiazole-6-carboxylate
CID 40690254
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 6-methylpyridine-3-carboxylate
CID 18149699
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(trifluoromethyl)benzoate
CID 9415903
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-ethylbenzoate
CID 18198888
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-ethoxy-3-methoxybenzoate
CID 8600938
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-(trifluoromethyl)benzoate
CID 9415143
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-(methylamino)-3-nitrobenzoate
CID 18199286
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate
CID 31594793
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-(acetamidomethyl)benzoate
CID 39967455
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-(1,2,4-triazol-1-yl)benzoate
CID 47009369
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-cyclohexyl-1,3-dioxoisoindole-5-carboxylate
CID 55392006
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-ethylsulfanylbenzoate
CID 8722117

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxo-1-phenylethyl] quinoxaline-6-carboxylate?
The IUPAC name of [2-(cyclopropylamino)-2-oxo-1-phenylethyl] quinoxaline-6-carboxylate (CID 47009412) is [2-(cyclopropylamino)-2-oxo-1-phenylethyl] quinoxaline-6-carboxylate.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxo-1-phenylethyl] quinoxaline-6-carboxylate?
The canonical SMILES for [2-(cyclopropylamino)-2-oxo-1-phenylethyl] quinoxaline-6-carboxylate is O=C(OC(C(=O)NC1CC1)c1ccccc1)c1ccc2nccnc2c1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxo-1-phenylethyl] quinoxaline-6-carboxylate?
The InChIKey is ZSJYUHPUXAAQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c24-19(23-15-7-8-15)18(13-4-2-1-3-5-13)26-20(25)14-6-9-16-17(12-14)22-11-10-21-16/h1-6,9-12,15,18H,7-8H2,(H,23,24).
What are the key properties of [2-(cyclopropylamino)-2-oxo-1-phenylethyl] quinoxaline-6-carboxylate?
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] quinoxaline-6-carboxylate has a molecular weight of 347.37 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxo-1-phenylethyl] quinoxaline-6-carboxylate is sourced from PubChem (CID 47009412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).