[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate

C20H18Cl2N2O4 — CID 4787552

IUPAC[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
SMILESCC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H18Cl2N2O4/c1-20(2)19(27)23-15-5-3-4-6-16(15)24(20)17(25)11-28-18(26)10-12-7-8-13(21)14(22)9-12/h3-9H,10-11H2,1-2H3,(H,23,27)
InChIKeyMEQSDXWBEVTELX-UHFFFAOYSA-N
MW421.28 g/mol
LogP3.84
Rot. Bonds4

About [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate

[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate (PubChem CID 4787552) has the molecular formula C20H18Cl2N2O4 and a molecular weight of 421.28 g/mol. Its IUPAC name is [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate.

Molecular Properties

Compound Name[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
PubChem CID4787552
Molecular FormulaC20H18Cl2N2O4
Molecular Weight421.28 g/mol
Exact Mass420.06
IUPAC Name[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
SMILESCC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H18Cl2N2O4/c1-20(2)19(27)23-15-5-3-4-6-16(15)24(20)17(25)11-28-18(26)10-12-7-8-13(21)14(22)9-12/h3-9H,10-11H2,1-2H3,(H,23,27)
InChIKeyMEQSDXWBEVTELX-UHFFFAOYSA-N
XLogP3.84
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.28
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-Oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-phenylacetate
CID 3571140
[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 3,5-dichlorobenzoate
CID 4787553
[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 4788668
[2-Oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 4842259
2-(3,4-dichlorophenyl)-N-(2-morpholin-4-ylphenyl)acetamide
CID 2677765
[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 7718323
[2-Oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(4-chlorophenyl)acetate
CID 2520909
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] (Z)-3-(4-chlorophenyl)-2-(4-fluorophenyl)prop-2-enoate
CID 2411150
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] (E)-3-(4-chlorophenyl)-2-(4-fluorophenyl)prop-2-enoate
CID 2411151
[2-Oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-(4-chlorophenyl)-2-(4-fluorophenyl)prop-2-enoate
CID 3994154
[2-Oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 4785653
[2-(5-Chloro-2-fluoroanilino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
CID 7724510

Frequently Asked Questions

What is the IUPAC name of [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate?
The IUPAC name of [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate (CID 4787552) is [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate.
What is the SMILES notation for [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate?
The canonical SMILES for [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate is CC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate?
The InChIKey is MEQSDXWBEVTELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N2O4/c1-20(2)19(27)23-15-5-3-4-6-16(15)24(20)17(25)11-28-18(26)10-12-7-8-13(21)14(22)9-12/h3-9H,10-11H2,1-2H3,(H,23,27).
What are the key properties of [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate?
[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate has a molecular weight of 421.28 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate is sourced from PubChem (CID 4787552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).