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

C21H16N4O — CID 920285

IUPAC3-(3,4-dimethylphenyl)-2-(furan-2-yl)imidazo[4,5-b]quinoxaline
SMILESCc1ccc(-n2c(-c3ccco3)nc3nc4ccccc4nc32)cc1C
InChIInChI=1S/C21H16N4O/c1-13-9-10-15(12-14(13)2)25-20(18-8-5-11-26-18)24-19-21(25)23-17-7-4-3-6-16(17)22-19/h3-12H,1-2H3
InChIKeyPBBXTUXNDMUYNZ-UHFFFAOYSA-N
MW340.39 g/mol
LogP4.85
Rot. Bonds2

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

3-(3,4-dimethylphenyl)-2-(furan-2-yl)imidazo[4,5-b]quinoxaline (PubChem CID 920285) has the molecular formula C21H16N4O and a molecular weight of 340.39 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-2-(furan-2-yl)imidazo[4,5-b]quinoxaline.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-2-(furan-2-yl)imidazo[4,5-b]quinoxaline
PubChem CID920285
Molecular FormulaC21H16N4O
Molecular Weight340.39 g/mol
Exact Mass340.13
IUPAC Name3-(3,4-dimethylphenyl)-2-(furan-2-yl)imidazo[4,5-b]quinoxaline
SMILESCc1ccc(-n2c(-c3ccco3)nc3nc4ccccc4nc32)cc1C
InChIInChI=1S/C21H16N4O/c1-13-9-10-15(12-14(13)2)25-20(18-8-5-11-26-18)24-19-21(25)23-17-7-4-3-6-16(17)22-19/h3-12H,1-2H3
InChIKeyPBBXTUXNDMUYNZ-UHFFFAOYSA-N
XLogP4.85
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-2-(furan-2-yl)imidazo[4,5-b]quinoxaline?
The IUPAC name of 3-(3,4-dimethylphenyl)-2-(furan-2-yl)imidazo[4,5-b]quinoxaline (CID 920285) is 3-(3,4-dimethylphenyl)-2-(furan-2-yl)imidazo[4,5-b]quinoxaline.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-2-(furan-2-yl)imidazo[4,5-b]quinoxaline?
The canonical SMILES for 3-(3,4-dimethylphenyl)-2-(furan-2-yl)imidazo[4,5-b]quinoxaline is Cc1ccc(-n2c(-c3ccco3)nc3nc4ccccc4nc32)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenyl)-2-(furan-2-yl)imidazo[4,5-b]quinoxaline?
The InChIKey is PBBXTUXNDMUYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O/c1-13-9-10-15(12-14(13)2)25-20(18-8-5-11-26-18)24-19-21(25)23-17-7-4-3-6-16(17)22-19/h3-12H,1-2H3.
What are the key properties of 3-(3,4-dimethylphenyl)-2-(furan-2-yl)imidazo[4,5-b]quinoxaline?
3-(3,4-dimethylphenyl)-2-(furan-2-yl)imidazo[4,5-b]quinoxaline has a molecular weight of 340.39 g/mol, XLogP of 4.85, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-2-(furan-2-yl)imidazo[4,5-b]quinoxaline is sourced from PubChem (CID 920285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).