ethyl 8-(3,5-dimethoxyphenyl)quinoxaline-5-carboxylate

C19H18N2O4 — CID 66914690

IUPACethyl 8-(3,5-dimethoxyphenyl)quinoxaline-5-carboxylate
SMILESCCOC(=O)c1ccc(-c2cc(OC)cc(OC)c2)c2nccnc12
InChIInChI=1S/C19H18N2O4/c1-4-25-19(22)16-6-5-15(17-18(16)21-8-7-20-17)12-9-13(23-2)11-14(10-12)24-3/h5-11H,4H2,1-3H3
InChIKeyPKKFJKPQLUFPDF-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.49
Rot. Bonds5

About ethyl 8-(3,5-dimethoxyphenyl)quinoxaline-5-carboxylate

ethyl 8-(3,5-dimethoxyphenyl)quinoxaline-5-carboxylate (PubChem CID 66914690) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is ethyl 8-(3,5-dimethoxyphenyl)quinoxaline-5-carboxylate.

Molecular Properties

Compound Nameethyl 8-(3,5-dimethoxyphenyl)quinoxaline-5-carboxylate
PubChem CID66914690
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Nameethyl 8-(3,5-dimethoxyphenyl)quinoxaline-5-carboxylate
SMILESCCOC(=O)c1ccc(-c2cc(OC)cc(OC)c2)c2nccnc12
InChIInChI=1S/C19H18N2O4/c1-4-25-19(22)16-6-5-15(17-18(16)21-8-7-20-17)12-9-13(23-2)11-14(10-12)24-3/h5-11H,4H2,1-3H3
InChIKeyPKKFJKPQLUFPDF-UHFFFAOYSA-N
XLogP3.49
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-(3,5-dimethoxyphenyl)-1H-pyrrole-3-carboxylate
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ethyl 6-methoxy-8-nitroquinoline-4-carboxylate
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ethyl 2-bromo-4-methoxybenzoate
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2-O-ethyl 1-O-methyl 4-methoxybenzene-1,2-dicarboxylate
CID 174563533
8-(3-methoxy-5-methylphenyl)quinoxaline-5-carbonitrile
CID 71100257
ethyl 4-(3,5-dimethoxyphenyl)-6-methyl-5-(2,4,6-trifluorophenyl)pyridine-3-carboxylate
CID 67075835
ethyl 2-methoxy-5-pyridin-4-ylpyridine-3-carboxylate
CID 46317910
ethyl 2-(bromomethyl)-4-methoxybenzoate
CID 10333471
ethyl 2-methoxy-5-pyridin-4-ylpyridine-4-carboxylate
CID 46317912
ethyl 8-amino-2-(3-methoxyphenyl)-1,7-naphthyridine-5-carboxylate
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CID 59517799

Frequently Asked Questions

What is the IUPAC name of ethyl 8-(3,5-dimethoxyphenyl)quinoxaline-5-carboxylate?
The IUPAC name of ethyl 8-(3,5-dimethoxyphenyl)quinoxaline-5-carboxylate (CID 66914690) is ethyl 8-(3,5-dimethoxyphenyl)quinoxaline-5-carboxylate.
What is the SMILES notation for ethyl 8-(3,5-dimethoxyphenyl)quinoxaline-5-carboxylate?
The canonical SMILES for ethyl 8-(3,5-dimethoxyphenyl)quinoxaline-5-carboxylate is CCOC(=O)c1ccc(-c2cc(OC)cc(OC)c2)c2nccnc12.
What is the InChIKey of ethyl 8-(3,5-dimethoxyphenyl)quinoxaline-5-carboxylate?
The InChIKey is PKKFJKPQLUFPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-4-25-19(22)16-6-5-15(17-18(16)21-8-7-20-17)12-9-13(23-2)11-14(10-12)24-3/h5-11H,4H2,1-3H3.
What are the key properties of ethyl 8-(3,5-dimethoxyphenyl)quinoxaline-5-carboxylate?
ethyl 8-(3,5-dimethoxyphenyl)quinoxaline-5-carboxylate has a molecular weight of 338.36 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-(3,5-dimethoxyphenyl)quinoxaline-5-carboxylate is sourced from PubChem (CID 66914690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).