ethyl 2-[3-(4-methoxyphenyl)-2-oxoquinoxalin-1-yl]acetate

C19H18N2O4 — CID 162399247

IUPACethyl 2-[3-(4-methoxyphenyl)-2-oxoquinoxalin-1-yl]acetate
SMILESCCOC(=O)Cn1c(=O)c(-c2ccc(OC)cc2)nc2ccccc21
InChIInChI=1S/C19H18N2O4/c1-3-25-17(22)12-21-16-7-5-4-6-15(16)20-18(19(21)23)13-8-10-14(24-2)11-9-13/h4-11H,3,12H2,1-2H3
InChIKeyFFYXXHDYROUPNS-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.64
Rot. Bonds5

About ethyl 2-[3-(4-methoxyphenyl)-2-oxoquinoxalin-1-yl]acetate

ethyl 2-[3-(4-methoxyphenyl)-2-oxoquinoxalin-1-yl]acetate (PubChem CID 162399247) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is ethyl 2-[3-(4-methoxyphenyl)-2-oxoquinoxalin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(4-methoxyphenyl)-2-oxoquinoxalin-1-yl]acetate
PubChem CID162399247
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Nameethyl 2-[3-(4-methoxyphenyl)-2-oxoquinoxalin-1-yl]acetate
SMILESCCOC(=O)Cn1c(=O)c(-c2ccc(OC)cc2)nc2ccccc21
InChIInChI=1S/C19H18N2O4/c1-3-25-17(22)12-21-16-7-5-4-6-15(16)20-18(19(21)23)13-8-10-14(24-2)11-9-13/h4-11H,3,12H2,1-2H3
InChIKeyFFYXXHDYROUPNS-UHFFFAOYSA-N
XLogP2.64
TPSA70.42 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 ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(4-methoxyphenyl)-2-oxoquinoxalin-1-yl]acetate?
The IUPAC name of ethyl 2-[3-(4-methoxyphenyl)-2-oxoquinoxalin-1-yl]acetate (CID 162399247) is ethyl 2-[3-(4-methoxyphenyl)-2-oxoquinoxalin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3-(4-methoxyphenyl)-2-oxoquinoxalin-1-yl]acetate?
The canonical SMILES for ethyl 2-[3-(4-methoxyphenyl)-2-oxoquinoxalin-1-yl]acetate is CCOC(=O)Cn1c(=O)c(-c2ccc(OC)cc2)nc2ccccc21.
What is the InChIKey of ethyl 2-[3-(4-methoxyphenyl)-2-oxoquinoxalin-1-yl]acetate?
The InChIKey is FFYXXHDYROUPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-3-25-17(22)12-21-16-7-5-4-6-15(16)20-18(19(21)23)13-8-10-14(24-2)11-9-13/h4-11H,3,12H2,1-2H3.
What are the key properties of ethyl 2-[3-(4-methoxyphenyl)-2-oxoquinoxalin-1-yl]acetate?
ethyl 2-[3-(4-methoxyphenyl)-2-oxoquinoxalin-1-yl]acetate has a molecular weight of 338.36 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(4-methoxyphenyl)-2-oxoquinoxalin-1-yl]acetate is sourced from PubChem (CID 162399247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).