(2-chlorophenyl)methyl 3-(3-oxo-4H-quinoxalin-2-yl)propanoate

C18H15ClN2O3 — CID 956284

IUPAC(2-chlorophenyl)methyl 3-(3-oxo-4H-quinoxalin-2-yl)propanoate
SMILESO=C(CCc1nc2ccccc2[nH]c1=O)OCc1ccccc1Cl
InChIInChI=1S/C18H15ClN2O3/c19-13-6-2-1-5-12(13)11-24-17(22)10-9-16-18(23)21-15-8-4-3-7-14(15)20-16/h1-8H,9-11H2,(H,21,23)
InChIKeyROIQPZGQUFFQDE-UHFFFAOYSA-N
MW342.78 g/mol
LogP3.25
Rot. Bonds5

About (2-chlorophenyl)methyl 3-(3-oxo-4H-quinoxalin-2-yl)propanoate

(2-chlorophenyl)methyl 3-(3-oxo-4H-quinoxalin-2-yl)propanoate (PubChem CID 956284) has the molecular formula C18H15ClN2O3 and a molecular weight of 342.78 g/mol. Its IUPAC name is (2-chlorophenyl)methyl 3-(3-oxo-4H-quinoxalin-2-yl)propanoate.

Molecular Properties

Compound Name(2-chlorophenyl)methyl 3-(3-oxo-4H-quinoxalin-2-yl)propanoate
PubChem CID956284
Molecular FormulaC18H15ClN2O3
Molecular Weight342.78 g/mol
Exact Mass342.08
IUPAC Name(2-chlorophenyl)methyl 3-(3-oxo-4H-quinoxalin-2-yl)propanoate
SMILESO=C(CCc1nc2ccccc2[nH]c1=O)OCc1ccccc1Cl
InChIInChI=1S/C18H15ClN2O3/c19-13-6-2-1-5-12(13)11-24-17(22)10-9-16-18(23)21-15-8-4-3-7-14(15)20-16/h1-8H,9-11H2,(H,21,23)
InChIKeyROIQPZGQUFFQDE-UHFFFAOYSA-N
XLogP3.25
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-chlorophenyl)methyl 3-(3-oxo-4H-quinoxalin-2-yl)propanoate 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

(4-chlorophenyl)methyl 3-(3-oxo-4H-quinoxalin-2-yl)propanoate
CID 3158558
1,3-benzothiazol-2-ylmethyl 3-(3-oxo-4H-quinoxalin-2-yl)propanoate
CID 2408084
(4-acetylphenyl)methyl 3-(3-oxo-4H-quinoxalin-2-yl)propanoate
CID 1300937
phenyl 3-[3-(3-oxo-4H-quinoxalin-2-yl)propanoyloxymethyl]benzoate
CID 1300594
ethyl 2,5-dimethyl-4-[2-[3-(3-oxo-4H-quinoxalin-2-yl)propanoyloxy]acetyl]-1H-pyrrole-3-carboxylate
CID 3289230
[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 3-(3-oxo-4H-quinoxalin-2-yl)propanoate
CID 163338483
N-(2-ethylphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164668
benzene-1,2-diamine;diethyl 2-oxopentanedioate;ethyl 3-(3-oxo-4H-quinoxalin-2-yl)propanoate;N-hydroxy-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 159329094
3-[(3,4-dichlorophenoxy)methyl]-1H-quinoxalin-2-one
CID 22642574
N-(cyanomethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 82299514
N-[(5-chlorofuran-2-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 110745205
3-(3-oxo-4H-quinoxalin-2-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide
CID 19164914

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)methyl 3-(3-oxo-4H-quinoxalin-2-yl)propanoate?
The IUPAC name of (2-chlorophenyl)methyl 3-(3-oxo-4H-quinoxalin-2-yl)propanoate (CID 956284) is (2-chlorophenyl)methyl 3-(3-oxo-4H-quinoxalin-2-yl)propanoate.
What is the SMILES notation for (2-chlorophenyl)methyl 3-(3-oxo-4H-quinoxalin-2-yl)propanoate?
The canonical SMILES for (2-chlorophenyl)methyl 3-(3-oxo-4H-quinoxalin-2-yl)propanoate is O=C(CCc1nc2ccccc2[nH]c1=O)OCc1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)methyl 3-(3-oxo-4H-quinoxalin-2-yl)propanoate?
The InChIKey is ROIQPZGQUFFQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3/c19-13-6-2-1-5-12(13)11-24-17(22)10-9-16-18(23)21-15-8-4-3-7-14(15)20-16/h1-8H,9-11H2,(H,21,23).
What are the key properties of (2-chlorophenyl)methyl 3-(3-oxo-4H-quinoxalin-2-yl)propanoate?
(2-chlorophenyl)methyl 3-(3-oxo-4H-quinoxalin-2-yl)propanoate has a molecular weight of 342.78 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)methyl 3-(3-oxo-4H-quinoxalin-2-yl)propanoate is sourced from PubChem (CID 956284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).