[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl] 2,3-dimethylquinoxaline-6-carboxylate

C23H25N3O3 — CID 8722084

IUPAC[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl] 2,3-dimethylquinoxaline-6-carboxylate
SMILESCCN(CC)C(=O)[C@@H](OC(=O)c1ccc2nc(C)c(C)nc2c1)c1ccccc1
InChIInChI=1S/C23H25N3O3/c1-5-26(6-2)22(27)21(17-10-8-7-9-11-17)29-23(28)18-12-13-19-20(14-18)25-16(4)15(3)24-19/h7-14,21H,5-6H2,1-4H3/t21-/m0/s1
InChIKeyGMGVZLDMTCKYLX-NRFANRHFSA-N
MW391.47 g/mol
LogP4.01
Rot. Bonds6

About [(1S)-2-(diethylamino)-2-oxo-1-phenylethyl] 2,3-dimethylquinoxaline-6-carboxylate

[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl] 2,3-dimethylquinoxaline-6-carboxylate (PubChem CID 8722084) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is [(1S)-2-(diethylamino)-2-oxo-1-phenylethyl] 2,3-dimethylquinoxaline-6-carboxylate.

Molecular Properties

Compound Name[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl] 2,3-dimethylquinoxaline-6-carboxylate
PubChem CID8722084
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl] 2,3-dimethylquinoxaline-6-carboxylate
SMILESCCN(CC)C(=O)[C@@H](OC(=O)c1ccc2nc(C)c(C)nc2c1)c1ccccc1
InChIInChI=1S/C23H25N3O3/c1-5-26(6-2)22(27)21(17-10-8-7-9-11-17)29-23(28)18-12-13-19-20(14-18)25-16(4)15(3)24-19/h7-14,21H,5-6H2,1-4H3/t21-/m0/s1
InChIKeyGMGVZLDMTCKYLX-NRFANRHFSA-N
XLogP4.01
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(1S)-2-(diethylamino)-2-oxo-1-phenylethyl] 2,3-dimethylquinoxaline-6-carboxylate with MolForge

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Related Compounds

N-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 110306222
[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl] 3-(dimethylsulfamoyl)benzoate
CID 9416369
[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl] 4-(5-methylpyrazol-1-yl)benzoate
CID 8644038
[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate
CID 8915679
[1-(4-ethylphenyl)-1-oxopropan-2-yl] 2,3-dimethylquinoxaline-6-carboxylate
CID 18199378
[1-oxo-1-(propylamino)propan-2-yl] 2,3-dimethylquinoxaline-6-carboxylate
CID 18092071
[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate
CID 8600784
[(2S)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 2,3-dimethylquinoxaline-6-carboxylate
CID 8959179
[(1R)-2-(diethylamino)-2-oxo-1-phenylethyl] 2-naphthalen-2-ylsulfanylacetate
CID 9205201
[(1R)-2-(diethylamino)-2-oxo-1-phenylethyl] 2,3,4-trimethoxybenzoate
CID 9417850
[(2R)-1-[[(3S)-1,1-dioxothiolan-3-yl]-ethylamino]-1-oxopropan-2-yl] 2,3-dimethylquinoxaline-6-carboxylate
CID 8959176
[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2,3-dimethylquinoxaline-6-carboxylate
CID 8959112

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-(diethylamino)-2-oxo-1-phenylethyl] 2,3-dimethylquinoxaline-6-carboxylate?
The IUPAC name of [(1S)-2-(diethylamino)-2-oxo-1-phenylethyl] 2,3-dimethylquinoxaline-6-carboxylate (CID 8722084) is [(1S)-2-(diethylamino)-2-oxo-1-phenylethyl] 2,3-dimethylquinoxaline-6-carboxylate.
What is the SMILES notation for [(1S)-2-(diethylamino)-2-oxo-1-phenylethyl] 2,3-dimethylquinoxaline-6-carboxylate?
The canonical SMILES for [(1S)-2-(diethylamino)-2-oxo-1-phenylethyl] 2,3-dimethylquinoxaline-6-carboxylate is CCN(CC)C(=O)[C@@H](OC(=O)c1ccc2nc(C)c(C)nc2c1)c1ccccc1.
What is the InChIKey of [(1S)-2-(diethylamino)-2-oxo-1-phenylethyl] 2,3-dimethylquinoxaline-6-carboxylate?
The InChIKey is GMGVZLDMTCKYLX-NRFANRHFSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-5-26(6-2)22(27)21(17-10-8-7-9-11-17)29-23(28)18-12-13-19-20(14-18)25-16(4)15(3)24-19/h7-14,21H,5-6H2,1-4H3/t21-/m0/s1.
What are the key properties of [(1S)-2-(diethylamino)-2-oxo-1-phenylethyl] 2,3-dimethylquinoxaline-6-carboxylate?
[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl] 2,3-dimethylquinoxaline-6-carboxylate has a molecular weight of 391.47 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-(diethylamino)-2-oxo-1-phenylethyl] 2,3-dimethylquinoxaline-6-carboxylate is sourced from PubChem (CID 8722084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).