ethyl 3,5-dimethoxy-4-[(5-methylpyrazin-2-yl)methoxy]benzoate

C17H20N2O5 — CID 141232269

IUPACethyl 3,5-dimethoxy-4-[(5-methylpyrazin-2-yl)methoxy]benzoate
SMILESCCOC(=O)c1cc(OC)c(OCc2cnc(C)cn2)c(OC)c1
InChIInChI=1S/C17H20N2O5/c1-5-23-17(20)12-6-14(21-3)16(15(7-12)22-4)24-10-13-9-18-11(2)8-19-13/h6-9H,5,10H2,1-4H3
InChIKeyFVWMOHZUQPIAMB-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.56
Rot. Bonds7

About ethyl 3,5-dimethoxy-4-[(5-methylpyrazin-2-yl)methoxy]benzoate

ethyl 3,5-dimethoxy-4-[(5-methylpyrazin-2-yl)methoxy]benzoate (PubChem CID 141232269) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is ethyl 3,5-dimethoxy-4-[(5-methylpyrazin-2-yl)methoxy]benzoate.

Molecular Properties

Compound Nameethyl 3,5-dimethoxy-4-[(5-methylpyrazin-2-yl)methoxy]benzoate
PubChem CID141232269
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC Nameethyl 3,5-dimethoxy-4-[(5-methylpyrazin-2-yl)methoxy]benzoate
SMILESCCOC(=O)c1cc(OC)c(OCc2cnc(C)cn2)c(OC)c1
InChIInChI=1S/C17H20N2O5/c1-5-23-17(20)12-6-14(21-3)16(15(7-12)22-4)24-10-13-9-18-11(2)8-19-13/h6-9H,5,10H2,1-4H3
InChIKeyFVWMOHZUQPIAMB-UHFFFAOYSA-N
XLogP2.56
TPSA79.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 3-amino-8-methoxyquinoline-6-carboxylate
CID 156872720
ethyl 7-bromo-4-methoxynaphthalene-2-carboxylate
CID 90202516
1-(8-methoxy-3-methylisoquinolin-6-yl)propan-1-one
CID 169409378
5-ethoxycarbonyl-3-methoxypyridine-2-carboxylic acid
CID 22923766
(4-ethoxycarbonyl-2-methoxyphenyl) 3,4,5-trimethoxybenzoate
CID 7311951
ethyl 3-chlorosulfonyl-4,5-dimethoxybenzoate
CID 43436808
ethyl 4-methoxy-1-benzothiophene-6-carboxylate
CID 11459009
2-[(2-methoxy-4-nitrophenoxy)methyl]-5-methylpyrazine
CID 162519884
ethyl 3,4,5-trimethoxybenzoate;1-iodo-2,3,4,5-tetramethylbenzene
CID 123134211
ethyl 5-(3,4,5-trimethoxyphenyl)pyridine-3-carboxylate
CID 22557861
ethyl 4-methoxy-2-methylquinoline-6-carboxylate
CID 23877743
1-O-ethyl 4-O-methyl 2,6-dimethoxybenzene-1,4-dicarboxylate
CID 11402920

Frequently Asked Questions

What is the IUPAC name of ethyl 3,5-dimethoxy-4-[(5-methylpyrazin-2-yl)methoxy]benzoate?
The IUPAC name of ethyl 3,5-dimethoxy-4-[(5-methylpyrazin-2-yl)methoxy]benzoate (CID 141232269) is ethyl 3,5-dimethoxy-4-[(5-methylpyrazin-2-yl)methoxy]benzoate.
What is the SMILES notation for ethyl 3,5-dimethoxy-4-[(5-methylpyrazin-2-yl)methoxy]benzoate?
The canonical SMILES for ethyl 3,5-dimethoxy-4-[(5-methylpyrazin-2-yl)methoxy]benzoate is CCOC(=O)c1cc(OC)c(OCc2cnc(C)cn2)c(OC)c1.
What is the InChIKey of ethyl 3,5-dimethoxy-4-[(5-methylpyrazin-2-yl)methoxy]benzoate?
The InChIKey is FVWMOHZUQPIAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5/c1-5-23-17(20)12-6-14(21-3)16(15(7-12)22-4)24-10-13-9-18-11(2)8-19-13/h6-9H,5,10H2,1-4H3.
What are the key properties of ethyl 3,5-dimethoxy-4-[(5-methylpyrazin-2-yl)methoxy]benzoate?
ethyl 3,5-dimethoxy-4-[(5-methylpyrazin-2-yl)methoxy]benzoate has a molecular weight of 332.36 g/mol, XLogP of 2.56, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,5-dimethoxy-4-[(5-methylpyrazin-2-yl)methoxy]benzoate is sourced from PubChem (CID 141232269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).