[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] (2R)-2-(furan-2-carbonylamino)propanoate

C18H17N3O6 — CID 2091720

IUPAC[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] (2R)-2-(furan-2-carbonylamino)propanoate
SMILESC[C@@H](NC(=O)c1ccco1)C(=O)OCC(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C18H17N3O6/c1-11(19-17(24)14-7-4-8-26-14)18(25)27-10-16(23)21-9-15(22)20-12-5-2-3-6-13(12)21/h2-8,11H,9-10H2,1H3,(H,19,24)(H,20,22)/t11-/m1/s1
InChIKeyBHDWDRBQSKXYRA-LLVKDONJSA-N
MW371.35 g/mol
LogP0.93
Rot. Bonds5

About [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] (2R)-2-(furan-2-carbonylamino)propanoate

[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] (2R)-2-(furan-2-carbonylamino)propanoate (PubChem CID 2091720) has the molecular formula C18H17N3O6 and a molecular weight of 371.35 g/mol. Its IUPAC name is [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] (2R)-2-(furan-2-carbonylamino)propanoate.

Molecular Properties

Compound Name[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] (2R)-2-(furan-2-carbonylamino)propanoate
PubChem CID2091720
Molecular FormulaC18H17N3O6
Molecular Weight371.35 g/mol
Exact Mass371.11
IUPAC Name[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] (2R)-2-(furan-2-carbonylamino)propanoate
SMILESC[C@@H](NC(=O)c1ccco1)C(=O)OCC(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C18H17N3O6/c1-11(19-17(24)14-7-4-8-26-14)18(25)27-10-16(23)21-9-15(22)20-12-5-2-3-6-13(12)21/h2-8,11H,9-10H2,1H3,(H,19,24)(H,20,22)/t11-/m1/s1
InChIKeyBHDWDRBQSKXYRA-LLVKDONJSA-N
XLogP0.93
TPSA117.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.35
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] (2R)-2-(furan-2-carbonylamino)propanoate with MolForge

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Related Compounds

[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-methyl-2-[(4-methylbenzoyl)amino]butanoate
CID 4785369
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
CID 55926912
[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate
CID 8846968
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoate
CID 55306186
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-(2-fluorophenyl)-2-methyl-4-oxobutanoate
CID 75423377
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-methylbenzoate
CID 2506258
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 2634946
[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]urea
CID 95040569
[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate
CID 8846976
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-hydroxy-2,2-diphenylacetate
CID 7191513
2-O-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-O-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 8508545
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(4-methoxyphenoxy)acetate
CID 2438205

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] (2R)-2-(furan-2-carbonylamino)propanoate?
The IUPAC name of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] (2R)-2-(furan-2-carbonylamino)propanoate (CID 2091720) is [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] (2R)-2-(furan-2-carbonylamino)propanoate.
What is the SMILES notation for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] (2R)-2-(furan-2-carbonylamino)propanoate?
The canonical SMILES for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] (2R)-2-(furan-2-carbonylamino)propanoate is C[C@@H](NC(=O)c1ccco1)C(=O)OCC(=O)N1CC(=O)Nc2ccccc21.
What is the InChIKey of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] (2R)-2-(furan-2-carbonylamino)propanoate?
The InChIKey is BHDWDRBQSKXYRA-LLVKDONJSA-N. The full InChI is InChI=1S/C18H17N3O6/c1-11(19-17(24)14-7-4-8-26-14)18(25)27-10-16(23)21-9-15(22)20-12-5-2-3-6-13(12)21/h2-8,11H,9-10H2,1H3,(H,19,24)(H,20,22)/t11-/m1/s1.
What are the key properties of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] (2R)-2-(furan-2-carbonylamino)propanoate?
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] (2R)-2-(furan-2-carbonylamino)propanoate has a molecular weight of 371.35 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] (2R)-2-(furan-2-carbonylamino)propanoate is sourced from PubChem (CID 2091720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).