1-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]quinoline

C16H10FN3 — CID 699634

IUPAC1-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]quinoline
SMILESFc1ccccc1-c1nnc2ccc3ccccc3n12
InChIInChI=1S/C16H10FN3/c17-13-7-3-2-6-12(13)16-19-18-15-10-9-11-5-1-4-8-14(11)20(15)16/h1-10H
InChIKeyPEEMALHNFXTACH-UHFFFAOYSA-N
MW263.28 g/mol
LogP3.69
Rot. Bonds1

About 1-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]quinoline

1-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]quinoline (PubChem CID 699634) has the molecular formula C16H10FN3 and a molecular weight of 263.28 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]quinoline.

Molecular Properties

Compound Name1-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]quinoline
PubChem CID699634
Molecular FormulaC16H10FN3
Molecular Weight263.28 g/mol
Exact Mass263.09
IUPAC Name1-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]quinoline
SMILESFc1ccccc1-c1nnc2ccc3ccccc3n12
InChIInChI=1S/C16H10FN3/c17-13-7-3-2-6-12(13)16-19-18-15-10-9-11-5-1-4-8-14(11)20(15)16/h1-10H
InChIKeyPEEMALHNFXTACH-UHFFFAOYSA-N
XLogP3.69
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]quinoline?
The IUPAC name of 1-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]quinoline (CID 699634) is 1-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]quinoline.
What is the SMILES notation for 1-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]quinoline?
The canonical SMILES for 1-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]quinoline is Fc1ccccc1-c1nnc2ccc3ccccc3n12.
What is the InChIKey of 1-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]quinoline?
The InChIKey is PEEMALHNFXTACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FN3/c17-13-7-3-2-6-12(13)16-19-18-15-10-9-11-5-1-4-8-14(11)20(15)16/h1-10H.
What are the key properties of 1-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]quinoline?
1-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]quinoline has a molecular weight of 263.28 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]quinoline is sourced from PubChem (CID 699634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).