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

C18H15ClN2O3 — CID 3158558

IUPAC(4-chlorophenyl)methyl 3-(3-oxo-4H-quinoxalin-2-yl)propanoate
SMILESO=C(CCc1nc2ccccc2[nH]c1=O)OCc1ccc(Cl)cc1
InChIInChI=1S/C18H15ClN2O3/c19-13-7-5-12(6-8-13)11-24-17(22)10-9-16-18(23)21-15-4-2-1-3-14(15)20-16/h1-8H,9-11H2,(H,21,23)
InChIKeyOCAMHSCKYJVEEQ-UHFFFAOYSA-N
MW342.78 g/mol
LogP3.25
Rot. Bonds5

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

(4-chlorophenyl)methyl 3-(3-oxo-4H-quinoxalin-2-yl)propanoate (PubChem CID 3158558) has the molecular formula C18H15ClN2O3 and a molecular weight of 342.78 g/mol. Its IUPAC name is (4-chlorophenyl)methyl 3-(3-oxo-4H-quinoxalin-2-yl)propanoate.

Molecular Properties

Compound Name(4-chlorophenyl)methyl 3-(3-oxo-4H-quinoxalin-2-yl)propanoate
PubChem CID3158558
Molecular FormulaC18H15ClN2O3
Molecular Weight342.78 g/mol
Exact Mass342.08
IUPAC Name(4-chlorophenyl)methyl 3-(3-oxo-4H-quinoxalin-2-yl)propanoate
SMILESO=C(CCc1nc2ccccc2[nH]c1=O)OCc1ccc(Cl)cc1
InChIInChI=1S/C18H15ClN2O3/c19-13-7-5-12(6-8-13)11-24-17(22)10-9-16-18(23)21-15-4-2-1-3-14(15)20-16/h1-8H,9-11H2,(H,21,23)
InChIKeyOCAMHSCKYJVEEQ-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

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Related Compounds

(4-acetylphenyl)methyl 3-(3-oxo-4H-quinoxalin-2-yl)propanoate
CID 1300937
(2-chlorophenyl)methyl 3-(3-oxo-4H-quinoxalin-2-yl)propanoate
CID 956284
1,3-benzothiazol-2-ylmethyl 3-(3-oxo-4H-quinoxalin-2-yl)propanoate
CID 2408084
phenyl 3-[3-(3-oxo-4H-quinoxalin-2-yl)propanoyloxymethyl]benzoate
CID 1300594
[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 3-(3-oxo-4H-quinoxalin-2-yl)propanoate
CID 163338483
ethyl 2,5-dimethyl-4-[2-[3-(3-oxo-4H-quinoxalin-2-yl)propanoyloxy]acetyl]-1H-pyrrole-3-carboxylate
CID 3289230
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
N-(cyanomethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 82299514
ethyl 3-[4-[(4-chlorophenyl)methyl]-3-oxoquinoxalin-2-yl]propanoate
CID 4640836
N-[(5-chlorofuran-2-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 110745205
1H-benzimidazol-2-ylmethyl 4-[(4-chlorobenzoyl)amino]butanoate
CID 4884043
N-[(E)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 110338723

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl 3-(3-oxo-4H-quinoxalin-2-yl)propanoate?
The IUPAC name of (4-chlorophenyl)methyl 3-(3-oxo-4H-quinoxalin-2-yl)propanoate (CID 3158558) is (4-chlorophenyl)methyl 3-(3-oxo-4H-quinoxalin-2-yl)propanoate.
What is the SMILES notation for (4-chlorophenyl)methyl 3-(3-oxo-4H-quinoxalin-2-yl)propanoate?
The canonical SMILES for (4-chlorophenyl)methyl 3-(3-oxo-4H-quinoxalin-2-yl)propanoate is O=C(CCc1nc2ccccc2[nH]c1=O)OCc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)methyl 3-(3-oxo-4H-quinoxalin-2-yl)propanoate?
The InChIKey is OCAMHSCKYJVEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3/c19-13-7-5-12(6-8-13)11-24-17(22)10-9-16-18(23)21-15-4-2-1-3-14(15)20-16/h1-8H,9-11H2,(H,21,23).
What are the key properties of (4-chlorophenyl)methyl 3-(3-oxo-4H-quinoxalin-2-yl)propanoate?
(4-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 (4-chlorophenyl)methyl 3-(3-oxo-4H-quinoxalin-2-yl)propanoate is sourced from PubChem (CID 3158558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).