3-[(4-chlorophenyl)methyl]-2-(furan-2-yl)imidazo[4,5-b]quinoxaline

C20H13ClN4O — CID 3833514

IUPAC3-[(4-chlorophenyl)methyl]-2-(furan-2-yl)imidazo[4,5-b]quinoxaline
SMILESClc1ccc(Cn2c(-c3ccco3)nc3nc4ccccc4nc32)cc1
InChIInChI=1S/C20H13ClN4O/c21-14-9-7-13(8-10-14)12-25-19(17-6-3-11-26-17)24-18-20(25)23-16-5-2-1-4-15(16)22-18/h1-11H,12H2
InChIKeyGSQLAOKXQUMDES-UHFFFAOYSA-N
MW360.80 g/mol
LogP4.94
Rot. Bonds3

About 3-[(4-chlorophenyl)methyl]-2-(furan-2-yl)imidazo[4,5-b]quinoxaline

3-[(4-chlorophenyl)methyl]-2-(furan-2-yl)imidazo[4,5-b]quinoxaline (PubChem CID 3833514) has the molecular formula C20H13ClN4O and a molecular weight of 360.80 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]-2-(furan-2-yl)imidazo[4,5-b]quinoxaline.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]-2-(furan-2-yl)imidazo[4,5-b]quinoxaline
PubChem CID3833514
Molecular FormulaC20H13ClN4O
Molecular Weight360.80 g/mol
Exact Mass360.08
IUPAC Name3-[(4-chlorophenyl)methyl]-2-(furan-2-yl)imidazo[4,5-b]quinoxaline
SMILESClc1ccc(Cn2c(-c3ccco3)nc3nc4ccccc4nc32)cc1
InChIInChI=1S/C20H13ClN4O/c21-14-9-7-13(8-10-14)12-25-19(17-6-3-11-26-17)24-18-20(25)23-16-5-2-1-4-15(16)22-18/h1-11H,12H2
InChIKeyGSQLAOKXQUMDES-UHFFFAOYSA-N
XLogP4.94
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.80
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chlorophenyl)-3-[(4-chlorophenyl)methyl]imidazo[4,5-b]quinoxaline
CID 3355392
3-(2-fluorophenyl)-2-(furan-2-yl)imidazo[4,5-b]quinoxaline
CID 931016
3-(3-ethylphenyl)-2-(furan-2-yl)imidazo[4,5-b]quinoxaline
CID 930770
2-(furan-2-yl)-3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridine
CID 117164482
3-(3,4-dimethylphenyl)-2-(furan-2-yl)imidazo[4,5-b]quinoxaline
CID 920285
2-[5-chloro-2-(furan-2-yl)benzimidazol-1-yl]ethanol
CID 46308220
1-benzyl-5-(4-chlorophenyl)-4-(furan-2-yl)-2-propan-2-ylimidazole
CID 122227303
1-[(4-butan-2-ylphenyl)methyl]-2-(furan-2-yl)benzimidazole
CID 17000154
2-(4-chlorophenyl)-3-(3-propan-2-yloxypropyl)imidazo[4,5-b]quinoxaline
CID 2005298
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(furan-2-yl)imidazo[4,5-b]quinoxaline
CID 661951
3-[(4-chlorophenyl)methylsulfanyl]-5-(furan-2-yl)-4-methyl-1,2,4-triazole
CID 580582
3-[(4-chlorophenyl)methyl]-5-(furan-2-yl)-1,3,4-oxadiazol-2-one
CID 47126497

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl]-2-(furan-2-yl)imidazo[4,5-b]quinoxaline?
The IUPAC name of 3-[(4-chlorophenyl)methyl]-2-(furan-2-yl)imidazo[4,5-b]quinoxaline (CID 3833514) is 3-[(4-chlorophenyl)methyl]-2-(furan-2-yl)imidazo[4,5-b]quinoxaline.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]-2-(furan-2-yl)imidazo[4,5-b]quinoxaline?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]-2-(furan-2-yl)imidazo[4,5-b]quinoxaline is Clc1ccc(Cn2c(-c3ccco3)nc3nc4ccccc4nc32)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]-2-(furan-2-yl)imidazo[4,5-b]quinoxaline?
The InChIKey is GSQLAOKXQUMDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN4O/c21-14-9-7-13(8-10-14)12-25-19(17-6-3-11-26-17)24-18-20(25)23-16-5-2-1-4-15(16)22-18/h1-11H,12H2.
What are the key properties of 3-[(4-chlorophenyl)methyl]-2-(furan-2-yl)imidazo[4,5-b]quinoxaline?
3-[(4-chlorophenyl)methyl]-2-(furan-2-yl)imidazo[4,5-b]quinoxaline has a molecular weight of 360.80 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]-2-(furan-2-yl)imidazo[4,5-b]quinoxaline is sourced from PubChem (CID 3833514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).