ethyl 2-[5-(2,4-dichlorophenyl)-3,6-dimethylpyrazin-2-yl]oxypropanoate

C17H18Cl2N2O3 — CID 22248982

IUPACethyl 2-[5-(2,4-dichlorophenyl)-3,6-dimethylpyrazin-2-yl]oxypropanoate
SMILESCCOC(=O)C(C)Oc1nc(C)c(-c2ccc(Cl)cc2Cl)nc1C
InChIInChI=1S/C17H18Cl2N2O3/c1-5-23-17(22)11(4)24-16-10(3)20-15(9(2)21-16)13-7-6-12(18)8-14(13)19/h6-8,11H,5H2,1-4H3
InChIKeyIQUMLZBWPSEZSR-UHFFFAOYSA-N
MW369.25 g/mol
LogP4.40
Rot. Bonds5

About ethyl 2-[5-(2,4-dichlorophenyl)-3,6-dimethylpyrazin-2-yl]oxypropanoate

ethyl 2-[5-(2,4-dichlorophenyl)-3,6-dimethylpyrazin-2-yl]oxypropanoate (PubChem CID 22248982) has the molecular formula C17H18Cl2N2O3 and a molecular weight of 369.25 g/mol. Its IUPAC name is ethyl 2-[5-(2,4-dichlorophenyl)-3,6-dimethylpyrazin-2-yl]oxypropanoate.

Molecular Properties

Compound Nameethyl 2-[5-(2,4-dichlorophenyl)-3,6-dimethylpyrazin-2-yl]oxypropanoate
PubChem CID22248982
Molecular FormulaC17H18Cl2N2O3
Molecular Weight369.25 g/mol
Exact Mass368.07
IUPAC Nameethyl 2-[5-(2,4-dichlorophenyl)-3,6-dimethylpyrazin-2-yl]oxypropanoate
SMILESCCOC(=O)C(C)Oc1nc(C)c(-c2ccc(Cl)cc2Cl)nc1C
InChIInChI=1S/C17H18Cl2N2O3/c1-5-23-17(22)11(4)24-16-10(3)20-15(9(2)21-16)13-7-6-12(18)8-14(13)19/h6-8,11H,5H2,1-4H3
InChIKeyIQUMLZBWPSEZSR-UHFFFAOYSA-N
XLogP4.40
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.25
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dichlorophenyl)-3,6-dimethyl-5-pentan-3-ylpyrazine
CID 90838020
5-(2,4-dichlorophenyl)-3-ethyl-6-methylpyrazin-2-amine
CID 142247147
ethyl 2-(2-carbamothioyl-5-chlorophenoxy)propanoate
CID 113277353
2-butoxyethyl 2-[(3,5-dichloro-6-methyl-2-pyridinyl)oxy]propanoate
CID 70624483
2-(2,4-dichlorophenyl)-3,6-dimethyl-5-(1-methylpyrrolidin-3-yl)oxypyrazine
CID 22147446
ethyl 2-(2,6-dichlorophenoxy)propanoate
CID 13177850
2-chloro-5-(2,4-dichlorophenyl)-6-methoxy-3-methylpyrazine
CID 46177844
ethyl 4-chloro-2-(2,4-dichlorophenyl)-6-methylquinoline-3-carboxylate
CID 141399841
ethyl 2-[[5-(2-chloro-4-fluorophenyl)-1,8-naphthyridin-2-yl]oxy]propanoate
CID 155127618
ethyl 2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-3-oxobutanoate
CID 134066251
ethyl 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)imidazole-4-carboxylate
CID 11463589
ethyl 4-amino-3-chloro-6-(2,4-dichlorophenyl)pyridine-2-carboxylate
CID 22677283

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-(2,4-dichlorophenyl)-3,6-dimethylpyrazin-2-yl]oxypropanoate?
The IUPAC name of ethyl 2-[5-(2,4-dichlorophenyl)-3,6-dimethylpyrazin-2-yl]oxypropanoate (CID 22248982) is ethyl 2-[5-(2,4-dichlorophenyl)-3,6-dimethylpyrazin-2-yl]oxypropanoate.
What is the SMILES notation for ethyl 2-[5-(2,4-dichlorophenyl)-3,6-dimethylpyrazin-2-yl]oxypropanoate?
The canonical SMILES for ethyl 2-[5-(2,4-dichlorophenyl)-3,6-dimethylpyrazin-2-yl]oxypropanoate is CCOC(=O)C(C)Oc1nc(C)c(-c2ccc(Cl)cc2Cl)nc1C.
What is the InChIKey of ethyl 2-[5-(2,4-dichlorophenyl)-3,6-dimethylpyrazin-2-yl]oxypropanoate?
The InChIKey is IQUMLZBWPSEZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O3/c1-5-23-17(22)11(4)24-16-10(3)20-15(9(2)21-16)13-7-6-12(18)8-14(13)19/h6-8,11H,5H2,1-4H3.
What are the key properties of ethyl 2-[5-(2,4-dichlorophenyl)-3,6-dimethylpyrazin-2-yl]oxypropanoate?
ethyl 2-[5-(2,4-dichlorophenyl)-3,6-dimethylpyrazin-2-yl]oxypropanoate has a molecular weight of 369.25 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-(2,4-dichlorophenyl)-3,6-dimethylpyrazin-2-yl]oxypropanoate is sourced from PubChem (CID 22248982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).