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

C22H24N4O3 — CID 3661824

IUPAC3-butan-2-yl-2-(3,4,5-trimethoxyphenyl)imidazo[4,5-b]quinoxaline
SMILESCCC(C)n1c(-c2cc(OC)c(OC)c(OC)c2)nc2nc3ccccc3nc21
InChIInChI=1S/C22H24N4O3/c1-6-13(2)26-21(14-11-17(27-3)19(29-5)18(12-14)28-4)25-20-22(26)24-16-10-8-7-9-15(16)23-20/h7-13H,6H2,1-5H3
InChIKeyRPIOOZCVQOFFQC-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.64
Rot. Bonds6

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

3-butan-2-yl-2-(3,4,5-trimethoxyphenyl)imidazo[4,5-b]quinoxaline (PubChem CID 3661824) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 3-butan-2-yl-2-(3,4,5-trimethoxyphenyl)imidazo[4,5-b]quinoxaline.

Molecular Properties

Compound Name3-butan-2-yl-2-(3,4,5-trimethoxyphenyl)imidazo[4,5-b]quinoxaline
PubChem CID3661824
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name3-butan-2-yl-2-(3,4,5-trimethoxyphenyl)imidazo[4,5-b]quinoxaline
SMILESCCC(C)n1c(-c2cc(OC)c(OC)c(OC)c2)nc2nc3ccccc3nc21
InChIInChI=1S/C22H24N4O3/c1-6-13(2)26-21(14-11-17(27-3)19(29-5)18(12-14)28-4)25-20-22(26)24-16-10-8-7-9-15(16)23-20/h7-13H,6H2,1-5H3
InChIKeyRPIOOZCVQOFFQC-UHFFFAOYSA-N
XLogP4.64
TPSA71.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

9-butyl-8-(3,4,5-trimethoxybenzyl)-9H-purin-6-amine
CID 448965
2,4-Diamino-6-[N-(3',4',5'-Trimethoxybenzyl)-N-Methylamino]Pyrido[2,3-D]Pyrimidine
CID 447229
1-(4-methoxybenzyl)-2-(4-methoxyphenyl)-1H-benzo(d)imidazole
CID 746182
YM 90709
CID 1103147
7-[(3,4,5-Trimethoxyphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine
CID 456183
7-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 10548259
4-[1-(4-Hydroxy-3-methoxybenzyl)-1H-benzimidazol-2-yl]-2-methoxyphenol
CID 617669
N-(3,4-dimethoxybenzyl)-1-ethyl-1H-benzimidazol-2-amine
CID 937788
6-(4-methyl-1-piperazinyl)-2-(3,4,5-trimethoxyphenyl)-1H-benzimidazole
CID 1477780
6-chloro-9-(3,4,5-trimethoxy-benzyl)-9H-purin-2-ylamine
CID 16735062
(s)-4-(3-((2-(6-Methoxypyridin-3-yl)-2,3-dihydrobenzo[b][1,4]dioxin-6-yl)methyl)-3h-imidazo[4,5-b]pyridin-6-yl)-2-methylbut-3-yn-2-amine
CID 126484197
(3,4-Dimethoxy-benzyl)-(1,2-dimethyl-1H-benzoimidazol-5-yl)-amine
CID 763669

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-2-(3,4,5-trimethoxyphenyl)imidazo[4,5-b]quinoxaline?
The IUPAC name of 3-butan-2-yl-2-(3,4,5-trimethoxyphenyl)imidazo[4,5-b]quinoxaline (CID 3661824) is 3-butan-2-yl-2-(3,4,5-trimethoxyphenyl)imidazo[4,5-b]quinoxaline.
What is the SMILES notation for 3-butan-2-yl-2-(3,4,5-trimethoxyphenyl)imidazo[4,5-b]quinoxaline?
The canonical SMILES for 3-butan-2-yl-2-(3,4,5-trimethoxyphenyl)imidazo[4,5-b]quinoxaline is CCC(C)n1c(-c2cc(OC)c(OC)c(OC)c2)nc2nc3ccccc3nc21.
What is the InChIKey of 3-butan-2-yl-2-(3,4,5-trimethoxyphenyl)imidazo[4,5-b]quinoxaline?
The InChIKey is RPIOOZCVQOFFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-6-13(2)26-21(14-11-17(27-3)19(29-5)18(12-14)28-4)25-20-22(26)24-16-10-8-7-9-15(16)23-20/h7-13H,6H2,1-5H3.
What are the key properties of 3-butan-2-yl-2-(3,4,5-trimethoxyphenyl)imidazo[4,5-b]quinoxaline?
3-butan-2-yl-2-(3,4,5-trimethoxyphenyl)imidazo[4,5-b]quinoxaline has a molecular weight of 392.46 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-2-(3,4,5-trimethoxyphenyl)imidazo[4,5-b]quinoxaline is sourced from PubChem (CID 3661824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).