3-(4-fluorophenyl)-2-methylimidazo[4,5-b]quinoxaline

C16H11FN4 — CID 2331215

IUPAC3-(4-fluorophenyl)-2-methylimidazo[4,5-b]quinoxaline
SMILESCc1nc2nc3ccccc3nc2n1-c1ccc(F)cc1
InChIInChI=1S/C16H11FN4/c1-10-18-15-16(20-14-5-3-2-4-13(14)19-15)21(10)12-8-6-11(17)7-9-12/h2-9H,1H3
InChIKeySQCKCWDXGMAHFG-UHFFFAOYSA-N
MW278.29 g/mol
LogP3.42
Rot. Bonds1

About 3-(4-fluorophenyl)-2-methylimidazo[4,5-b]quinoxaline

3-(4-fluorophenyl)-2-methylimidazo[4,5-b]quinoxaline (PubChem CID 2331215) has the molecular formula C16H11FN4 and a molecular weight of 278.29 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-methylimidazo[4,5-b]quinoxaline.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-methylimidazo[4,5-b]quinoxaline
PubChem CID2331215
Molecular FormulaC16H11FN4
Molecular Weight278.29 g/mol
Exact Mass278.10
IUPAC Name3-(4-fluorophenyl)-2-methylimidazo[4,5-b]quinoxaline
SMILESCc1nc2nc3ccccc3nc2n1-c1ccc(F)cc1
InChIInChI=1S/C16H11FN4/c1-10-18-15-16(20-14-5-3-2-4-13(14)19-15)21(10)12-8-6-11(17)7-9-12/h2-9H,1H3
InChIKeySQCKCWDXGMAHFG-UHFFFAOYSA-N
XLogP3.42
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-methylimidazo[4,5-b]quinoxaline?
The IUPAC name of 3-(4-fluorophenyl)-2-methylimidazo[4,5-b]quinoxaline (CID 2331215) is 3-(4-fluorophenyl)-2-methylimidazo[4,5-b]quinoxaline.
What is the SMILES notation for 3-(4-fluorophenyl)-2-methylimidazo[4,5-b]quinoxaline?
The canonical SMILES for 3-(4-fluorophenyl)-2-methylimidazo[4,5-b]quinoxaline is Cc1nc2nc3ccccc3nc2n1-c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-2-methylimidazo[4,5-b]quinoxaline?
The InChIKey is SQCKCWDXGMAHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4/c1-10-18-15-16(20-14-5-3-2-4-13(14)19-15)21(10)12-8-6-11(17)7-9-12/h2-9H,1H3.
What are the key properties of 3-(4-fluorophenyl)-2-methylimidazo[4,5-b]quinoxaline?
3-(4-fluorophenyl)-2-methylimidazo[4,5-b]quinoxaline has a molecular weight of 278.29 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-methylimidazo[4,5-b]quinoxaline is sourced from PubChem (CID 2331215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).