[3-[(3-fluorophenyl)methoxy]-2,6-dimethylphenyl]-quinoxalin-6-ylmethanone

C24H19FN2O2 — CID 89478119

IUPAC[3-[(3-fluorophenyl)methoxy]-2,6-dimethylphenyl]-quinoxalin-6-ylmethanone
SMILESCc1ccc(OCc2cccc(F)c2)c(C)c1C(=O)c1ccc2nccnc2c1
InChIInChI=1S/C24H19FN2O2/c1-15-6-9-22(29-14-17-4-3-5-19(25)12-17)16(2)23(15)24(28)18-7-8-20-21(13-18)27-11-10-26-20/h3-13H,14H2,1-2H3
InChIKeyVCLZTKNBZGVPLO-UHFFFAOYSA-N
MW386.43 g/mol
LogP5.20
Rot. Bonds5

About [3-[(3-fluorophenyl)methoxy]-2,6-dimethylphenyl]-quinoxalin-6-ylmethanone

[3-[(3-fluorophenyl)methoxy]-2,6-dimethylphenyl]-quinoxalin-6-ylmethanone (PubChem CID 89478119) has the molecular formula C24H19FN2O2 and a molecular weight of 386.43 g/mol. Its IUPAC name is [3-[(3-fluorophenyl)methoxy]-2,6-dimethylphenyl]-quinoxalin-6-ylmethanone.

Molecular Properties

Compound Name[3-[(3-fluorophenyl)methoxy]-2,6-dimethylphenyl]-quinoxalin-6-ylmethanone
PubChem CID89478119
Molecular FormulaC24H19FN2O2
Molecular Weight386.43 g/mol
Exact Mass386.14
IUPAC Name[3-[(3-fluorophenyl)methoxy]-2,6-dimethylphenyl]-quinoxalin-6-ylmethanone
SMILESCc1ccc(OCc2cccc(F)c2)c(C)c1C(=O)c1ccc2nccnc2c1
InChIInChI=1S/C24H19FN2O2/c1-15-6-9-22(29-14-17-4-3-5-19(25)12-17)16(2)23(15)24(28)18-7-8-20-21(13-18)27-11-10-26-20/h3-13H,14H2,1-2H3
InChIKeyVCLZTKNBZGVPLO-UHFFFAOYSA-N
XLogP5.20
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.43
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[(3-fluorophenyl)methoxy]-2,6-dimethylphenyl]-quinoxalin-6-ylmethanone?
The IUPAC name of [3-[(3-fluorophenyl)methoxy]-2,6-dimethylphenyl]-quinoxalin-6-ylmethanone (CID 89478119) is [3-[(3-fluorophenyl)methoxy]-2,6-dimethylphenyl]-quinoxalin-6-ylmethanone.
What is the SMILES notation for [3-[(3-fluorophenyl)methoxy]-2,6-dimethylphenyl]-quinoxalin-6-ylmethanone?
The canonical SMILES for [3-[(3-fluorophenyl)methoxy]-2,6-dimethylphenyl]-quinoxalin-6-ylmethanone is Cc1ccc(OCc2cccc(F)c2)c(C)c1C(=O)c1ccc2nccnc2c1.
What is the InChIKey of [3-[(3-fluorophenyl)methoxy]-2,6-dimethylphenyl]-quinoxalin-6-ylmethanone?
The InChIKey is VCLZTKNBZGVPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O2/c1-15-6-9-22(29-14-17-4-3-5-19(25)12-17)16(2)23(15)24(28)18-7-8-20-21(13-18)27-11-10-26-20/h3-13H,14H2,1-2H3.
What are the key properties of [3-[(3-fluorophenyl)methoxy]-2,6-dimethylphenyl]-quinoxalin-6-ylmethanone?
[3-[(3-fluorophenyl)methoxy]-2,6-dimethylphenyl]-quinoxalin-6-ylmethanone has a molecular weight of 386.43 g/mol, XLogP of 5.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-fluorophenyl)methoxy]-2,6-dimethylphenyl]-quinoxalin-6-ylmethanone is sourced from PubChem (CID 89478119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).