3-cyclohexyl-2-(2,4-dichlorophenyl)imidazo[4,5-b]quinoxaline

C21H18Cl2N4 — CID 5183651

IUPAC3-cyclohexyl-2-(2,4-dichlorophenyl)imidazo[4,5-b]quinoxaline
SMILESClc1ccc(-c2nc3nc4ccccc4nc3n2C2CCCCC2)c(Cl)c1
InChIInChI=1S/C21H18Cl2N4/c22-13-10-11-15(16(23)12-13)20-26-19-21(27(20)14-6-2-1-3-7-14)25-18-9-5-4-8-17(18)24-19/h4-5,8-12,14H,1-3,6-7H2
InChIKeyNGZMDKQWKVQLIX-UHFFFAOYSA-N
MW397.31 g/mol
LogP6.46
Rot. Bonds2

About 3-cyclohexyl-2-(2,4-dichlorophenyl)imidazo[4,5-b]quinoxaline

3-cyclohexyl-2-(2,4-dichlorophenyl)imidazo[4,5-b]quinoxaline (PubChem CID 5183651) has the molecular formula C21H18Cl2N4 and a molecular weight of 397.31 g/mol. Its IUPAC name is 3-cyclohexyl-2-(2,4-dichlorophenyl)imidazo[4,5-b]quinoxaline.

Molecular Properties

Compound Name3-cyclohexyl-2-(2,4-dichlorophenyl)imidazo[4,5-b]quinoxaline
PubChem CID5183651
Molecular FormulaC21H18Cl2N4
Molecular Weight397.31 g/mol
Exact Mass396.09
IUPAC Name3-cyclohexyl-2-(2,4-dichlorophenyl)imidazo[4,5-b]quinoxaline
SMILESClc1ccc(-c2nc3nc4ccccc4nc3n2C2CCCCC2)c(Cl)c1
InChIInChI=1S/C21H18Cl2N4/c22-13-10-11-15(16(23)12-13)20-26-19-21(27(20)14-6-2-1-3-7-14)25-18-9-5-4-8-17(18)24-19/h4-5,8-12,14H,1-3,6-7H2
InChIKeyNGZMDKQWKVQLIX-UHFFFAOYSA-N
XLogP6.46
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.31
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 5309446
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9-(4-chlorophenyl)-N-cyclohexyl-8-(2,4-dichlorophenyl)-9H-purin-6-amine
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8-(2-chlorophenyl)-9-(4-chlorophenyl)-6-(piperidin-1-yl)-9H-purine
CID 25190878
1-(2-Chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline
CID 56933838
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CID 816945
7-(2,4-Dichlorophenyl)-2-ethyl-3-pentan-3-ylimidazo[4,5-b]pyridine
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8-(2-Chlorophenyl)-9-(4-chlorophenyl)-6-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]purine
CID 135156440

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-(2,4-dichlorophenyl)imidazo[4,5-b]quinoxaline?
The IUPAC name of 3-cyclohexyl-2-(2,4-dichlorophenyl)imidazo[4,5-b]quinoxaline (CID 5183651) is 3-cyclohexyl-2-(2,4-dichlorophenyl)imidazo[4,5-b]quinoxaline.
What is the SMILES notation for 3-cyclohexyl-2-(2,4-dichlorophenyl)imidazo[4,5-b]quinoxaline?
The canonical SMILES for 3-cyclohexyl-2-(2,4-dichlorophenyl)imidazo[4,5-b]quinoxaline is Clc1ccc(-c2nc3nc4ccccc4nc3n2C2CCCCC2)c(Cl)c1.
What is the InChIKey of 3-cyclohexyl-2-(2,4-dichlorophenyl)imidazo[4,5-b]quinoxaline?
The InChIKey is NGZMDKQWKVQLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N4/c22-13-10-11-15(16(23)12-13)20-26-19-21(27(20)14-6-2-1-3-7-14)25-18-9-5-4-8-17(18)24-19/h4-5,8-12,14H,1-3,6-7H2.
What are the key properties of 3-cyclohexyl-2-(2,4-dichlorophenyl)imidazo[4,5-b]quinoxaline?
3-cyclohexyl-2-(2,4-dichlorophenyl)imidazo[4,5-b]quinoxaline has a molecular weight of 397.31 g/mol, XLogP of 6.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-(2,4-dichlorophenyl)imidazo[4,5-b]quinoxaline is sourced from PubChem (CID 5183651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).