6-[5-(ethoxymethyl)-2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinoxaline

C23H20FN3O — CID 90093919

IUPAC6-[5-(ethoxymethyl)-2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinoxaline
SMILESCCOCc1cnc(-c2ccc(F)c(C)c2)c(-c2ccc3nccnc3c2)c1
InChIInChI=1S/C23H20FN3O/c1-3-28-14-16-11-19(17-5-7-21-22(12-17)26-9-8-25-21)23(27-13-16)18-4-6-20(24)15(2)10-18/h4-13H,3,14H2,1-2H3
InChIKeyFJHHTVFCCQPZMT-UHFFFAOYSA-N
MW373.43 g/mol
LogP5.34
Rot. Bonds5

About 6-[5-(ethoxymethyl)-2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinoxaline

6-[5-(ethoxymethyl)-2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinoxaline (PubChem CID 90093919) has the molecular formula C23H20FN3O and a molecular weight of 373.43 g/mol. Its IUPAC name is 6-[5-(ethoxymethyl)-2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinoxaline.

Molecular Properties

Compound Name6-[5-(ethoxymethyl)-2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinoxaline
PubChem CID90093919
Molecular FormulaC23H20FN3O
Molecular Weight373.43 g/mol
Exact Mass373.16
IUPAC Name6-[5-(ethoxymethyl)-2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinoxaline
SMILESCCOCc1cnc(-c2ccc(F)c(C)c2)c(-c2ccc3nccnc3c2)c1
InChIInChI=1S/C23H20FN3O/c1-3-28-14-16-11-19(17-5-7-21-22(12-17)26-9-8-25-21)23(27-13-16)18-4-6-20(24)15(2)10-18/h4-13H,3,14H2,1-2H3
InChIKeyFJHHTVFCCQPZMT-UHFFFAOYSA-N
XLogP5.34
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.43
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(ethoxymethyl)-2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinoxaline?
The IUPAC name of 6-[5-(ethoxymethyl)-2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinoxaline (CID 90093919) is 6-[5-(ethoxymethyl)-2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinoxaline.
What is the SMILES notation for 6-[5-(ethoxymethyl)-2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinoxaline?
The canonical SMILES for 6-[5-(ethoxymethyl)-2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinoxaline is CCOCc1cnc(-c2ccc(F)c(C)c2)c(-c2ccc3nccnc3c2)c1.
What is the InChIKey of 6-[5-(ethoxymethyl)-2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinoxaline?
The InChIKey is FJHHTVFCCQPZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O/c1-3-28-14-16-11-19(17-5-7-21-22(12-17)26-9-8-25-21)23(27-13-16)18-4-6-20(24)15(2)10-18/h4-13H,3,14H2,1-2H3.
What are the key properties of 6-[5-(ethoxymethyl)-2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinoxaline?
6-[5-(ethoxymethyl)-2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinoxaline has a molecular weight of 373.43 g/mol, XLogP of 5.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(ethoxymethyl)-2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinoxaline is sourced from PubChem (CID 90093919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).