3-ethyl-2-[1-(4-fluorophenyl)triazol-4-yl]quinoline

C19H15FN4 — CID 71561163

IUPAC3-ethyl-2-[1-(4-fluorophenyl)triazol-4-yl]quinoline
SMILESCCc1cc2ccccc2nc1-c1cn(-c2ccc(F)cc2)nn1
InChIInChI=1S/C19H15FN4/c1-2-13-11-14-5-3-4-6-17(14)21-19(13)18-12-24(23-22-18)16-9-7-15(20)8-10-16/h3-12H,2H2,1H3
InChIKeyHQGBPYBBZUGKDJ-UHFFFAOYSA-N
MW318.36 g/mol
LogP4.18
Rot. Bonds3

About 3-ethyl-2-[1-(4-fluorophenyl)triazol-4-yl]quinoline

3-ethyl-2-[1-(4-fluorophenyl)triazol-4-yl]quinoline (PubChem CID 71561163) has the molecular formula C19H15FN4 and a molecular weight of 318.36 g/mol. Its IUPAC name is 3-ethyl-2-[1-(4-fluorophenyl)triazol-4-yl]quinoline.

Molecular Properties

Compound Name3-ethyl-2-[1-(4-fluorophenyl)triazol-4-yl]quinoline
PubChem CID71561163
Molecular FormulaC19H15FN4
Molecular Weight318.36 g/mol
Exact Mass318.13
IUPAC Name3-ethyl-2-[1-(4-fluorophenyl)triazol-4-yl]quinoline
SMILESCCc1cc2ccccc2nc1-c1cn(-c2ccc(F)cc2)nn1
InChIInChI=1S/C19H15FN4/c1-2-13-11-14-5-3-4-6-17(14)21-19(13)18-12-24(23-22-18)16-9-7-15(20)8-10-16/h3-12H,2H2,1H3
InChIKeyHQGBPYBBZUGKDJ-UHFFFAOYSA-N
XLogP4.18
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[1-(4-fluorophenyl)triazol-4-yl]quinoline?
The IUPAC name of 3-ethyl-2-[1-(4-fluorophenyl)triazol-4-yl]quinoline (CID 71561163) is 3-ethyl-2-[1-(4-fluorophenyl)triazol-4-yl]quinoline.
What is the SMILES notation for 3-ethyl-2-[1-(4-fluorophenyl)triazol-4-yl]quinoline?
The canonical SMILES for 3-ethyl-2-[1-(4-fluorophenyl)triazol-4-yl]quinoline is CCc1cc2ccccc2nc1-c1cn(-c2ccc(F)cc2)nn1.
What is the InChIKey of 3-ethyl-2-[1-(4-fluorophenyl)triazol-4-yl]quinoline?
The InChIKey is HQGBPYBBZUGKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4/c1-2-13-11-14-5-3-4-6-17(14)21-19(13)18-12-24(23-22-18)16-9-7-15(20)8-10-16/h3-12H,2H2,1H3.
What are the key properties of 3-ethyl-2-[1-(4-fluorophenyl)triazol-4-yl]quinoline?
3-ethyl-2-[1-(4-fluorophenyl)triazol-4-yl]quinoline has a molecular weight of 318.36 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[1-(4-fluorophenyl)triazol-4-yl]quinoline is sourced from PubChem (CID 71561163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).