2-[1-(4-fluorophenyl)triazol-4-yl]-6-(2-methoxyethoxy)quinoline

C20H17FN4O2 — CID 122457327

IUPAC2-[1-(4-fluorophenyl)triazol-4-yl]-6-(2-methoxyethoxy)quinoline
SMILESCOCCOc1ccc2nc(-c3cn(-c4ccc(F)cc4)nn3)ccc2c1
InChIInChI=1S/C20H17FN4O2/c1-26-10-11-27-17-7-9-18-14(12-17)2-8-19(22-18)20-13-25(24-23-20)16-5-3-15(21)4-6-16/h2-9,12-13H,10-11H2,1H3
InChIKeyBRTOJHZPIDFFDL-UHFFFAOYSA-N
MW364.38 g/mol
LogP3.65
Rot. Bonds6

About 2-[1-(4-fluorophenyl)triazol-4-yl]-6-(2-methoxyethoxy)quinoline

2-[1-(4-fluorophenyl)triazol-4-yl]-6-(2-methoxyethoxy)quinoline (PubChem CID 122457327) has the molecular formula C20H17FN4O2 and a molecular weight of 364.38 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)triazol-4-yl]-6-(2-methoxyethoxy)quinoline.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)triazol-4-yl]-6-(2-methoxyethoxy)quinoline
PubChem CID122457327
Molecular FormulaC20H17FN4O2
Molecular Weight364.38 g/mol
Exact Mass364.13
IUPAC Name2-[1-(4-fluorophenyl)triazol-4-yl]-6-(2-methoxyethoxy)quinoline
SMILESCOCCOc1ccc2nc(-c3cn(-c4ccc(F)cc4)nn3)ccc2c1
InChIInChI=1S/C20H17FN4O2/c1-26-10-11-27-17-7-9-18-14(12-17)2-8-19(22-18)20-13-25(24-23-20)16-5-3-15(21)4-6-16/h2-9,12-13H,10-11H2,1H3
InChIKeyBRTOJHZPIDFFDL-UHFFFAOYSA-N
XLogP3.65
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[1-(4-fluorophenyl)triazol-4-yl]-6-(2-methoxyethoxy)quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)triazol-4-yl]-6-(2-methoxyethoxy)quinoline?
The IUPAC name of 2-[1-(4-fluorophenyl)triazol-4-yl]-6-(2-methoxyethoxy)quinoline (CID 122457327) is 2-[1-(4-fluorophenyl)triazol-4-yl]-6-(2-methoxyethoxy)quinoline.
What is the SMILES notation for 2-[1-(4-fluorophenyl)triazol-4-yl]-6-(2-methoxyethoxy)quinoline?
The canonical SMILES for 2-[1-(4-fluorophenyl)triazol-4-yl]-6-(2-methoxyethoxy)quinoline is COCCOc1ccc2nc(-c3cn(-c4ccc(F)cc4)nn3)ccc2c1.
What is the InChIKey of 2-[1-(4-fluorophenyl)triazol-4-yl]-6-(2-methoxyethoxy)quinoline?
The InChIKey is BRTOJHZPIDFFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O2/c1-26-10-11-27-17-7-9-18-14(12-17)2-8-19(22-18)20-13-25(24-23-20)16-5-3-15(21)4-6-16/h2-9,12-13H,10-11H2,1H3.
What are the key properties of 2-[1-(4-fluorophenyl)triazol-4-yl]-6-(2-methoxyethoxy)quinoline?
2-[1-(4-fluorophenyl)triazol-4-yl]-6-(2-methoxyethoxy)quinoline has a molecular weight of 364.38 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)triazol-4-yl]-6-(2-methoxyethoxy)quinoline is sourced from PubChem (CID 122457327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).