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

C21H22N4O3 — CID 3413199

IUPAC3-propyl-2-(3,4,5-trimethoxyphenyl)imidazo[4,5-b]quinoxaline
SMILESCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nc2nc3ccccc3nc21
InChIInChI=1S/C21H22N4O3/c1-5-10-25-20(13-11-16(26-2)18(28-4)17(12-13)27-3)24-19-21(25)23-15-9-7-6-8-14(15)22-19/h6-9,11-12H,5,10H2,1-4H3
InChIKeyITLQHTRSORSTDK-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.08
Rot. Bonds6

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

3-propyl-2-(3,4,5-trimethoxyphenyl)imidazo[4,5-b]quinoxaline (PubChem CID 3413199) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 3-propyl-2-(3,4,5-trimethoxyphenyl)imidazo[4,5-b]quinoxaline.

Molecular Properties

Compound Name3-propyl-2-(3,4,5-trimethoxyphenyl)imidazo[4,5-b]quinoxaline
PubChem CID3413199
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name3-propyl-2-(3,4,5-trimethoxyphenyl)imidazo[4,5-b]quinoxaline
SMILESCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nc2nc3ccccc3nc21
InChIInChI=1S/C21H22N4O3/c1-5-10-25-20(13-11-16(26-2)18(28-4)17(12-13)27-3)24-19-21(25)23-15-9-7-6-8-14(15)22-19/h6-9,11-12H,5,10H2,1-4H3
InChIKeyITLQHTRSORSTDK-UHFFFAOYSA-N
XLogP4.08
TPSA71.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-propyl-2-(3,4,5-trimethoxyphenyl)imidazo[4,5-b]quinoxaline?
The IUPAC name of 3-propyl-2-(3,4,5-trimethoxyphenyl)imidazo[4,5-b]quinoxaline (CID 3413199) is 3-propyl-2-(3,4,5-trimethoxyphenyl)imidazo[4,5-b]quinoxaline.
What is the SMILES notation for 3-propyl-2-(3,4,5-trimethoxyphenyl)imidazo[4,5-b]quinoxaline?
The canonical SMILES for 3-propyl-2-(3,4,5-trimethoxyphenyl)imidazo[4,5-b]quinoxaline is CCCn1c(-c2cc(OC)c(OC)c(OC)c2)nc2nc3ccccc3nc21.
What is the InChIKey of 3-propyl-2-(3,4,5-trimethoxyphenyl)imidazo[4,5-b]quinoxaline?
The InChIKey is ITLQHTRSORSTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-5-10-25-20(13-11-16(26-2)18(28-4)17(12-13)27-3)24-19-21(25)23-15-9-7-6-8-14(15)22-19/h6-9,11-12H,5,10H2,1-4H3.
What are the key properties of 3-propyl-2-(3,4,5-trimethoxyphenyl)imidazo[4,5-b]quinoxaline?
3-propyl-2-(3,4,5-trimethoxyphenyl)imidazo[4,5-b]quinoxaline has a molecular weight of 378.43 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-2-(3,4,5-trimethoxyphenyl)imidazo[4,5-b]quinoxaline is sourced from PubChem (CID 3413199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).