[5-[(3-fluorophenyl)methoxy]-2-methylphenyl]-quinoxalin-6-ylmethanone

C23H17FN2O2 — CID 89478158

IUPAC[5-[(3-fluorophenyl)methoxy]-2-methylphenyl]-quinoxalin-6-ylmethanone
SMILESCc1ccc(OCc2cccc(F)c2)cc1C(=O)c1ccc2nccnc2c1
InChIInChI=1S/C23H17FN2O2/c1-15-5-7-19(28-14-16-3-2-4-18(24)11-16)13-20(15)23(27)17-6-8-21-22(12-17)26-10-9-25-21/h2-13H,14H2,1H3
InChIKeyGGMWMAJBPWGROU-UHFFFAOYSA-N
MW372.40 g/mol
LogP4.89
Rot. Bonds5

About [5-[(3-fluorophenyl)methoxy]-2-methylphenyl]-quinoxalin-6-ylmethanone

[5-[(3-fluorophenyl)methoxy]-2-methylphenyl]-quinoxalin-6-ylmethanone (PubChem CID 89478158) has the molecular formula C23H17FN2O2 and a molecular weight of 372.40 g/mol. Its IUPAC name is [5-[(3-fluorophenyl)methoxy]-2-methylphenyl]-quinoxalin-6-ylmethanone.

Molecular Properties

Compound Name[5-[(3-fluorophenyl)methoxy]-2-methylphenyl]-quinoxalin-6-ylmethanone
PubChem CID89478158
Molecular FormulaC23H17FN2O2
Molecular Weight372.40 g/mol
Exact Mass372.13
IUPAC Name[5-[(3-fluorophenyl)methoxy]-2-methylphenyl]-quinoxalin-6-ylmethanone
SMILESCc1ccc(OCc2cccc(F)c2)cc1C(=O)c1ccc2nccnc2c1
InChIInChI=1S/C23H17FN2O2/c1-15-5-7-19(28-14-16-3-2-4-18(24)11-16)13-20(15)23(27)17-6-8-21-22(12-17)26-10-9-25-21/h2-13H,14H2,1H3
InChIKeyGGMWMAJBPWGROU-UHFFFAOYSA-N
XLogP4.89
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[(3-fluorophenyl)methoxy]-2-methylphenyl]-quinoxalin-6-ylmethanone?
The IUPAC name of [5-[(3-fluorophenyl)methoxy]-2-methylphenyl]-quinoxalin-6-ylmethanone (CID 89478158) is [5-[(3-fluorophenyl)methoxy]-2-methylphenyl]-quinoxalin-6-ylmethanone.
What is the SMILES notation for [5-[(3-fluorophenyl)methoxy]-2-methylphenyl]-quinoxalin-6-ylmethanone?
The canonical SMILES for [5-[(3-fluorophenyl)methoxy]-2-methylphenyl]-quinoxalin-6-ylmethanone is Cc1ccc(OCc2cccc(F)c2)cc1C(=O)c1ccc2nccnc2c1.
What is the InChIKey of [5-[(3-fluorophenyl)methoxy]-2-methylphenyl]-quinoxalin-6-ylmethanone?
The InChIKey is GGMWMAJBPWGROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN2O2/c1-15-5-7-19(28-14-16-3-2-4-18(24)11-16)13-20(15)23(27)17-6-8-21-22(12-17)26-10-9-25-21/h2-13H,14H2,1H3.
What are the key properties of [5-[(3-fluorophenyl)methoxy]-2-methylphenyl]-quinoxalin-6-ylmethanone?
[5-[(3-fluorophenyl)methoxy]-2-methylphenyl]-quinoxalin-6-ylmethanone has a molecular weight of 372.40 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3-fluorophenyl)methoxy]-2-methylphenyl]-quinoxalin-6-ylmethanone is sourced from PubChem (CID 89478158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).