ethyl 4-benzyl-8-chloro-3-oxoquinoxaline-2-carboxylate

C18H15ClN2O3 — CID 177406428

IUPACethyl 4-benzyl-8-chloro-3-oxoquinoxaline-2-carboxylate
SMILESCCOC(=O)c1nc2c(Cl)cccc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C18H15ClN2O3/c1-2-24-18(23)16-17(22)21(11-12-7-4-3-5-8-12)14-10-6-9-13(19)15(14)20-16/h3-10H,2,11H2,1H3
InChIKeyQOFPXDFUERIRJU-UHFFFAOYSA-N
MW342.78 g/mol
LogP3.27
Rot. Bonds4

About ethyl 4-benzyl-8-chloro-3-oxoquinoxaline-2-carboxylate

ethyl 4-benzyl-8-chloro-3-oxoquinoxaline-2-carboxylate (PubChem CID 177406428) has the molecular formula C18H15ClN2O3 and a molecular weight of 342.78 g/mol. Its IUPAC name is ethyl 4-benzyl-8-chloro-3-oxoquinoxaline-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-benzyl-8-chloro-3-oxoquinoxaline-2-carboxylate
PubChem CID177406428
Molecular FormulaC18H15ClN2O3
Molecular Weight342.78 g/mol
Exact Mass342.08
IUPAC Nameethyl 4-benzyl-8-chloro-3-oxoquinoxaline-2-carboxylate
SMILESCCOC(=O)c1nc2c(Cl)cccc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C18H15ClN2O3/c1-2-24-18(23)16-17(22)21(11-12-7-4-3-5-8-12)14-10-6-9-13(19)15(14)20-16/h3-10H,2,11H2,1H3
InChIKeyQOFPXDFUERIRJU-UHFFFAOYSA-N
XLogP3.27
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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ethyl 3-benzyl-4-oxoquinazoline-2-carboxylate
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8-chloro-4-(4-ethylphenyl)-3-oxoquinoxaline-2-carboxylic acid
CID 154665146
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ethyl 6-ethyl-7-oxo-[1,2,5]thiadiazolo[3,4-h]quinoxaline-8-carboxylate
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diethyl 1-benzyl-3,4-dihydroxypyrrole-2,5-dicarboxylate
CID 54682554
ethyl 2-methyl-1-[[4-(2-phenylethenyl)phenyl]methyl]benzimidazole-4-carboxylate
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ethyl 1-[(4-methoxyphenyl)methyl]-4-methyl-2-oxo-1,5-naphthyridine-3-carboxylate
CID 143011204
ethyl 1-benzyl-6-chloro-4-hydroxy-2-oxoquinoline-3-carboxylate
CID 69477265
ethyl 1-benzyl-2,3,7-trichloro-4-hydroxypyrrolo[2,3-c]pyridine-5-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 4-benzyl-8-chloro-3-oxoquinoxaline-2-carboxylate?
The IUPAC name of ethyl 4-benzyl-8-chloro-3-oxoquinoxaline-2-carboxylate (CID 177406428) is ethyl 4-benzyl-8-chloro-3-oxoquinoxaline-2-carboxylate.
What is the SMILES notation for ethyl 4-benzyl-8-chloro-3-oxoquinoxaline-2-carboxylate?
The canonical SMILES for ethyl 4-benzyl-8-chloro-3-oxoquinoxaline-2-carboxylate is CCOC(=O)c1nc2c(Cl)cccc2n(Cc2ccccc2)c1=O.
What is the InChIKey of ethyl 4-benzyl-8-chloro-3-oxoquinoxaline-2-carboxylate?
The InChIKey is QOFPXDFUERIRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3/c1-2-24-18(23)16-17(22)21(11-12-7-4-3-5-8-12)14-10-6-9-13(19)15(14)20-16/h3-10H,2,11H2,1H3.
What are the key properties of ethyl 4-benzyl-8-chloro-3-oxoquinoxaline-2-carboxylate?
ethyl 4-benzyl-8-chloro-3-oxoquinoxaline-2-carboxylate has a molecular weight of 342.78 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-benzyl-8-chloro-3-oxoquinoxaline-2-carboxylate is sourced from PubChem (CID 177406428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).