3-(2-methoxyethyl)-2-(3,4,5-trimethoxyphenyl)imidazo[4,5-b]quinoxaline

C21H22N4O4 — CID 663998

IUPAC3-(2-methoxyethyl)-2-(3,4,5-trimethoxyphenyl)imidazo[4,5-b]quinoxaline
SMILESCOCCn1c(-c2cc(OC)c(OC)c(OC)c2)nc2nc3ccccc3nc21
InChIInChI=1S/C21H22N4O4/c1-26-10-9-25-20(13-11-16(27-2)18(29-4)17(12-13)28-3)24-19-21(25)23-15-8-6-5-7-14(15)22-19/h5-8,11-12H,9-10H2,1-4H3
InChIKeyGJFDWSHFGACWSC-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.32
Rot. Bonds7

About 3-(2-methoxyethyl)-2-(3,4,5-trimethoxyphenyl)imidazo[4,5-b]quinoxaline

3-(2-methoxyethyl)-2-(3,4,5-trimethoxyphenyl)imidazo[4,5-b]quinoxaline (PubChem CID 663998) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-2-(3,4,5-trimethoxyphenyl)imidazo[4,5-b]quinoxaline.

Molecular Properties

Compound Name3-(2-methoxyethyl)-2-(3,4,5-trimethoxyphenyl)imidazo[4,5-b]quinoxaline
PubChem CID663998
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC Name3-(2-methoxyethyl)-2-(3,4,5-trimethoxyphenyl)imidazo[4,5-b]quinoxaline
SMILESCOCCn1c(-c2cc(OC)c(OC)c(OC)c2)nc2nc3ccccc3nc21
InChIInChI=1S/C21H22N4O4/c1-26-10-9-25-20(13-11-16(27-2)18(29-4)17(12-13)28-3)24-19-21(25)23-15-8-6-5-7-14(15)22-19/h5-8,11-12H,9-10H2,1-4H3
InChIKeyGJFDWSHFGACWSC-UHFFFAOYSA-N
XLogP3.32
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-2-(3,4,5-trimethoxyphenyl)imidazo[4,5-b]quinoxaline?
The IUPAC name of 3-(2-methoxyethyl)-2-(3,4,5-trimethoxyphenyl)imidazo[4,5-b]quinoxaline (CID 663998) is 3-(2-methoxyethyl)-2-(3,4,5-trimethoxyphenyl)imidazo[4,5-b]quinoxaline.
What is the SMILES notation for 3-(2-methoxyethyl)-2-(3,4,5-trimethoxyphenyl)imidazo[4,5-b]quinoxaline?
The canonical SMILES for 3-(2-methoxyethyl)-2-(3,4,5-trimethoxyphenyl)imidazo[4,5-b]quinoxaline is COCCn1c(-c2cc(OC)c(OC)c(OC)c2)nc2nc3ccccc3nc21.
What is the InChIKey of 3-(2-methoxyethyl)-2-(3,4,5-trimethoxyphenyl)imidazo[4,5-b]quinoxaline?
The InChIKey is GJFDWSHFGACWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-26-10-9-25-20(13-11-16(27-2)18(29-4)17(12-13)28-3)24-19-21(25)23-15-8-6-5-7-14(15)22-19/h5-8,11-12H,9-10H2,1-4H3.
What are the key properties of 3-(2-methoxyethyl)-2-(3,4,5-trimethoxyphenyl)imidazo[4,5-b]quinoxaline?
3-(2-methoxyethyl)-2-(3,4,5-trimethoxyphenyl)imidazo[4,5-b]quinoxaline has a molecular weight of 394.43 g/mol, XLogP of 3.32, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-2-(3,4,5-trimethoxyphenyl)imidazo[4,5-b]quinoxaline is sourced from PubChem (CID 663998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).