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

C20H13FN4O — CID 951008

IUPAC3-(3-fluoro-4-methylphenyl)-2-(furan-2-yl)imidazo[4,5-b]quinoxaline
SMILESCc1ccc(-n2c(-c3ccco3)nc3nc4ccccc4nc32)cc1F
InChIInChI=1S/C20H13FN4O/c1-12-8-9-13(11-14(12)21)25-19(17-7-4-10-26-17)24-18-20(25)23-16-6-3-2-5-15(16)22-18/h2-11H,1H3
InChIKeyOATKZNWWTABKCB-UHFFFAOYSA-N
MW344.35 g/mol
LogP4.68
Rot. Bonds2

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

3-(3-fluoro-4-methylphenyl)-2-(furan-2-yl)imidazo[4,5-b]quinoxaline (PubChem CID 951008) has the molecular formula C20H13FN4O and a molecular weight of 344.35 g/mol. Its IUPAC name is 3-(3-fluoro-4-methylphenyl)-2-(furan-2-yl)imidazo[4,5-b]quinoxaline.

Molecular Properties

Compound Name3-(3-fluoro-4-methylphenyl)-2-(furan-2-yl)imidazo[4,5-b]quinoxaline
PubChem CID951008
Molecular FormulaC20H13FN4O
Molecular Weight344.35 g/mol
Exact Mass344.11
IUPAC Name3-(3-fluoro-4-methylphenyl)-2-(furan-2-yl)imidazo[4,5-b]quinoxaline
SMILESCc1ccc(-n2c(-c3ccco3)nc3nc4ccccc4nc32)cc1F
InChIInChI=1S/C20H13FN4O/c1-12-8-9-13(11-14(12)21)25-19(17-7-4-10-26-17)24-18-20(25)23-16-6-3-2-5-15(16)22-18/h2-11H,1H3
InChIKeyOATKZNWWTABKCB-UHFFFAOYSA-N
XLogP4.68
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methylphenyl)-2-(furan-2-yl)imidazo[4,5-b]quinoxaline?
The IUPAC name of 3-(3-fluoro-4-methylphenyl)-2-(furan-2-yl)imidazo[4,5-b]quinoxaline (CID 951008) is 3-(3-fluoro-4-methylphenyl)-2-(furan-2-yl)imidazo[4,5-b]quinoxaline.
What is the SMILES notation for 3-(3-fluoro-4-methylphenyl)-2-(furan-2-yl)imidazo[4,5-b]quinoxaline?
The canonical SMILES for 3-(3-fluoro-4-methylphenyl)-2-(furan-2-yl)imidazo[4,5-b]quinoxaline is Cc1ccc(-n2c(-c3ccco3)nc3nc4ccccc4nc32)cc1F.
What is the InChIKey of 3-(3-fluoro-4-methylphenyl)-2-(furan-2-yl)imidazo[4,5-b]quinoxaline?
The InChIKey is OATKZNWWTABKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN4O/c1-12-8-9-13(11-14(12)21)25-19(17-7-4-10-26-17)24-18-20(25)23-16-6-3-2-5-15(16)22-18/h2-11H,1H3.
What are the key properties of 3-(3-fluoro-4-methylphenyl)-2-(furan-2-yl)imidazo[4,5-b]quinoxaline?
3-(3-fluoro-4-methylphenyl)-2-(furan-2-yl)imidazo[4,5-b]quinoxaline has a molecular weight of 344.35 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methylphenyl)-2-(furan-2-yl)imidazo[4,5-b]quinoxaline is sourced from PubChem (CID 951008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).