ethyl 2,3-dichloroquinoxaline-6-carboxylate;ethyl 2,3-dioxo-1,4-dihydroquinoline-6-carboxylate

C23H19Cl2N3O6 — CID 162206449

IUPACethyl 2,3-dichloroquinoxaline-6-carboxylate;ethyl 2,3-dioxo-1,4-dihydroquinoline-6-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)CC(=O)C(=O)N2.CCOC(=O)c1ccc2nc(Cl)c(Cl)nc2c1
InChIInChI=1S/C12H11NO4.C11H8Cl2N2O2/c1-2-17-12(16)7-3-4-9-8(5-7)6-10(14)11(15)13-9;1-2-17-11(16)6-3-4-7-8(5-6)15-10(13)9(12)14-7/h3-5H,2,6H2,1H3,(H,13,15);3-5H,2H2,1H3
InChIKeyZSGHNFMNTXHQDL-UHFFFAOYSA-N
MW504.33 g/mol
LogP4.04
Rot. Bonds4

About ethyl 2,3-dichloroquinoxaline-6-carboxylate;ethyl 2,3-dioxo-1,4-dihydroquinoline-6-carboxylate

ethyl 2,3-dichloroquinoxaline-6-carboxylate;ethyl 2,3-dioxo-1,4-dihydroquinoline-6-carboxylate (PubChem CID 162206449) has the molecular formula C23H19Cl2N3O6 and a molecular weight of 504.33 g/mol. Its IUPAC name is ethyl 2,3-dichloroquinoxaline-6-carboxylate;ethyl 2,3-dioxo-1,4-dihydroquinoline-6-carboxylate.

Molecular Properties

Compound Nameethyl 2,3-dichloroquinoxaline-6-carboxylate;ethyl 2,3-dioxo-1,4-dihydroquinoline-6-carboxylate
PubChem CID162206449
Molecular FormulaC23H19Cl2N3O6
Molecular Weight504.33 g/mol
Exact Mass503.07
IUPAC Nameethyl 2,3-dichloroquinoxaline-6-carboxylate;ethyl 2,3-dioxo-1,4-dihydroquinoline-6-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)CC(=O)C(=O)N2.CCOC(=O)c1ccc2nc(Cl)c(Cl)nc2c1
InChIInChI=1S/C12H11NO4.C11H8Cl2N2O2/c1-2-17-12(16)7-3-4-9-8(5-7)6-10(14)11(15)13-9;1-2-17-11(16)6-3-4-7-8(5-6)15-10(13)9(12)14-7/h3-5H,2,6H2,1H3,(H,13,15);3-5H,2H2,1H3
InChIKeyZSGHNFMNTXHQDL-UHFFFAOYSA-N
XLogP4.04
TPSA124.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.33
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze ethyl 2,3-dichloroquinoxaline-6-carboxylate;ethyl 2,3-dioxo-1,4-dihydroquinoline-6-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

4-[(2-Methyl-quinoline-4-carbonyl)-amino]-benzoic acid ethyl ester
CID 1082716
[2-(3-Methylanilino)-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate
CID 8096961
[2-(2-Methylanilino)-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate
CID 8096945
Ethyl 4-[(6-methyl-2-phenyl-4-quinolyl)carbonylamino]benzoate
CID 4400085
Methyl 2,3-diphenylquinoxaline-6-carboxylate
CID 4572650
Ethyl 2,3-diphenylquinoxaline-6-carboxylate
CID 5262000
Benzyl 2,3-dimethyl-6-quinoxalinecarboxylate
CID 2995369
Methyl 4-(phenazine-1-carbonylamino)benzoate
CID 49771557
Butyl 3-[(4-chlorophenyl)carbamoyl]-2-methyl-1,4-dioxidoquinoxaline-1,4-diium-6-carboxylate
CID 177641766
2-Methylpropyl 1,4-dioxido-2-phenyl-3-(phenylcarbamoyl)quinoxaline-1,4-diium-6-carboxylate
CID 177642040
2-Methylpropyl 3-[(2,4-dimethylphenyl)carbamoyl]-2-methyl-1,4-dioxidoquinoxaline-1,4-diium-6-carboxylate
CID 177642687
Butyl 3-[(2,4-dimethylphenyl)carbamoyl]-2-methyl-1,4-dioxidoquinoxaline-1,4-diium-6-carboxylate
CID 177642712

Frequently Asked Questions

What is the IUPAC name of ethyl 2,3-dichloroquinoxaline-6-carboxylate;ethyl 2,3-dioxo-1,4-dihydroquinoline-6-carboxylate?
The IUPAC name of ethyl 2,3-dichloroquinoxaline-6-carboxylate;ethyl 2,3-dioxo-1,4-dihydroquinoline-6-carboxylate (CID 162206449) is ethyl 2,3-dichloroquinoxaline-6-carboxylate;ethyl 2,3-dioxo-1,4-dihydroquinoline-6-carboxylate.
What is the SMILES notation for ethyl 2,3-dichloroquinoxaline-6-carboxylate;ethyl 2,3-dioxo-1,4-dihydroquinoline-6-carboxylate?
The canonical SMILES for ethyl 2,3-dichloroquinoxaline-6-carboxylate;ethyl 2,3-dioxo-1,4-dihydroquinoline-6-carboxylate is CCOC(=O)c1ccc2c(c1)CC(=O)C(=O)N2.CCOC(=O)c1ccc2nc(Cl)c(Cl)nc2c1.
What is the InChIKey of ethyl 2,3-dichloroquinoxaline-6-carboxylate;ethyl 2,3-dioxo-1,4-dihydroquinoline-6-carboxylate?
The InChIKey is ZSGHNFMNTXHQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4.C11H8Cl2N2O2/c1-2-17-12(16)7-3-4-9-8(5-7)6-10(14)11(15)13-9;1-2-17-11(16)6-3-4-7-8(5-6)15-10(13)9(12)14-7/h3-5H,2,6H2,1H3,(H,13,15);3-5H,2H2,1H3.
What are the key properties of ethyl 2,3-dichloroquinoxaline-6-carboxylate;ethyl 2,3-dioxo-1,4-dihydroquinoline-6-carboxylate?
ethyl 2,3-dichloroquinoxaline-6-carboxylate;ethyl 2,3-dioxo-1,4-dihydroquinoline-6-carboxylate has a molecular weight of 504.33 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,3-dichloroquinoxaline-6-carboxylate;ethyl 2,3-dioxo-1,4-dihydroquinoline-6-carboxylate is sourced from PubChem (CID 162206449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).