ethyl 4-(3-chlorobenzoyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate

C22H25ClN2O3 — CID 58656564

IUPACethyl 4-(3-chlorobenzoyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate
SMILESCCOC(=O)N1c2cc(C)c(C)cc2N(C(=O)c2cccc(Cl)c2)CC1CC
InChIInChI=1S/C22H25ClN2O3/c1-5-18-13-24(21(26)16-8-7-9-17(23)12-16)19-10-14(3)15(4)11-20(19)25(18)22(27)28-6-2/h7-12,18H,5-6,13H2,1-4H3
InChIKeyMBEJTEHXISKQMD-UHFFFAOYSA-N
MW400.91 g/mol
LogP5.36
Rot. Bonds3

About ethyl 4-(3-chlorobenzoyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate

ethyl 4-(3-chlorobenzoyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate (PubChem CID 58656564) has the molecular formula C22H25ClN2O3 and a molecular weight of 400.91 g/mol. Its IUPAC name is ethyl 4-(3-chlorobenzoyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3-chlorobenzoyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate
PubChem CID58656564
Molecular FormulaC22H25ClN2O3
Molecular Weight400.91 g/mol
Exact Mass400.16
IUPAC Nameethyl 4-(3-chlorobenzoyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate
SMILESCCOC(=O)N1c2cc(C)c(C)cc2N(C(=O)c2cccc(Cl)c2)CC1CC
InChIInChI=1S/C22H25ClN2O3/c1-5-18-13-24(21(26)16-8-7-9-17(23)12-16)19-10-14(3)15(4)11-20(19)25(18)22(27)28-6-2/h7-12,18H,5-6,13H2,1-4H3
InChIKeyMBEJTEHXISKQMD-UHFFFAOYSA-N
XLogP5.36
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.91
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 4-(3-chlorobenzoyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate with MolForge

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Related Compounds

ethyl 4-(2-chloro-3-methylbenzoyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate
CID 58656720
ethyl 4-(4-acetylbenzoyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate
CID 58656887
ethyl 2-ethyl-6,7-dimethyl-4-(4-methylsulfanylbenzoyl)-2,3-dihydroquinoxaline-1-carboxylate
CID 58656767
ethyl 2-ethyl-6,7-dimethyl-4-(4-propylbenzoyl)-2,3-dihydroquinoxaline-1-carboxylate
CID 58656569
ethyl 4-(3-bromo-4-methoxybenzoyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate
CID 58656854
ethyl 4-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)benzoyl]-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate
CID 142945267
ethyl 2-ethyl-6,7-dimethyl-4-(4-morpholin-4-ylbenzoyl)-2,3-dihydroquinoxaline-1-carboxylate
CID 58656723
ethyl 2-ethyl-4-(5-fluoro-2-methylbenzoyl)-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate
CID 58656957
ethyl 2-ethyl-6,7-dimethyl-4-(quinoline-2-carbonyl)-2,3-dihydroquinoxaline-1-carboxylate
CID 58656548
ethyl 2-ethyl-6,7-dimethyl-4-(2-methyl-5-phenylfuran-3-carbonyl)-2,3-dihydroquinoxaline-1-carboxylate
CID 58656864
ethyl 4-(7-ethoxy-1-benzofuran-2-carbonyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate
CID 58656612
ethyl 4-[2-(2-bromo-5-chlorophenyl)propan-2-yl]-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate
CID 142945246

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-chlorobenzoyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate?
The IUPAC name of ethyl 4-(3-chlorobenzoyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate (CID 58656564) is ethyl 4-(3-chlorobenzoyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate.
What is the SMILES notation for ethyl 4-(3-chlorobenzoyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate?
The canonical SMILES for ethyl 4-(3-chlorobenzoyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate is CCOC(=O)N1c2cc(C)c(C)cc2N(C(=O)c2cccc(Cl)c2)CC1CC.
What is the InChIKey of ethyl 4-(3-chlorobenzoyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate?
The InChIKey is MBEJTEHXISKQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O3/c1-5-18-13-24(21(26)16-8-7-9-17(23)12-16)19-10-14(3)15(4)11-20(19)25(18)22(27)28-6-2/h7-12,18H,5-6,13H2,1-4H3.
What are the key properties of ethyl 4-(3-chlorobenzoyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate?
ethyl 4-(3-chlorobenzoyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate has a molecular weight of 400.91 g/mol, XLogP of 5.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-chlorobenzoyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate is sourced from PubChem (CID 58656564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).