[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-phenylpropanoate

C19H18N2O4 — CID 4023849

IUPAC[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-phenylpropanoate
SMILESO=C1CN(C(=O)COC(=O)CCc2ccccc2)c2ccccc2N1
InChIInChI=1S/C19H18N2O4/c22-17-12-21(16-9-5-4-8-15(16)20-17)18(23)13-25-19(24)11-10-14-6-2-1-3-7-14/h1-9H,10-13H2,(H,20,22)
InChIKeyCCTWKLZMEAJWBF-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.15
Rot. Bonds5

About [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-phenylpropanoate

[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-phenylpropanoate (PubChem CID 4023849) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-phenylpropanoate.

Molecular Properties

Compound Name[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-phenylpropanoate
PubChem CID4023849
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-phenylpropanoate
SMILESO=C1CN(C(=O)COC(=O)CCc2ccccc2)c2ccccc2N1
InChIInChI=1S/C19H18N2O4/c22-17-12-21(16-9-5-4-8-15(16)20-17)18(23)13-25-19(24)11-10-14-6-2-1-3-7-14/h1-9H,10-13H2,(H,20,22)
InChIKeyCCTWKLZMEAJWBF-UHFFFAOYSA-N
XLogP2.15
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-phenylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3S)-3-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]azaniumyl]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetate
CID 40466887
[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 3-phenylpropanoate
CID 2337918
[2-(N-ethylanilino)-2-oxoethyl] 3-phenylpropanoate
CID 2391741
[2-Oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-phenylacetate
CID 3571140
Methyl 2-[4-[4-(2-ethylbutanoylamino)phenyl]piperazin-1-yl]-2-phenylacetate
CID 16666777
N-(2-morpholin-4-ylphenyl)-2-phenylacetamide
CID 960143
2-Oxo-2-(3-oxo-1,2,3,4-tetrahydroquinoxalin-1-yl)ethyl 2-(2-phenylethenesulfonamido)acetate
CID 2472656
N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-phenylacetamide
CID 4411953
[2-Oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-benzamido-3-methylbutanoate
CID 4877263
(S)-2-(2-(3-oxo-1,2,3,4-tetrahydroquinoxaline-1-carboxamido)acetamido)-3-phenylpropanoic acid
CID 7097537
N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-phenylacetamide
CID 7406737
(S)-2-(2-(3-oxo-1,2,3,4-tetrahydroquinoxaline-1-carboxamido)acetamido)-2-phenylacetic acid
CID 7693219

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-phenylpropanoate?
The IUPAC name of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-phenylpropanoate (CID 4023849) is [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-phenylpropanoate.
What is the SMILES notation for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-phenylpropanoate?
The canonical SMILES for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-phenylpropanoate is O=C1CN(C(=O)COC(=O)CCc2ccccc2)c2ccccc2N1.
What is the InChIKey of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-phenylpropanoate?
The InChIKey is CCTWKLZMEAJWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c22-17-12-21(16-9-5-4-8-15(16)20-17)18(23)13-25-19(24)11-10-14-6-2-1-3-7-14/h1-9H,10-13H2,(H,20,22).
What are the key properties of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-phenylpropanoate?
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-phenylpropanoate has a molecular weight of 338.36 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-phenylpropanoate is sourced from PubChem (CID 4023849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).