2-[1-(4-fluorophenyl)triazol-4-yl]-5-phenoxyquinoline

C23H15FN4O — CID 122457237

IUPAC2-[1-(4-fluorophenyl)triazol-4-yl]-5-phenoxyquinoline
SMILESFc1ccc(-n2cc(-c3ccc4c(Oc5ccccc5)cccc4n3)nn2)cc1
InChIInChI=1S/C23H15FN4O/c24-16-9-11-17(12-10-16)28-15-22(26-27-28)21-14-13-19-20(25-21)7-4-8-23(19)29-18-5-2-1-3-6-18/h1-15H
InChIKeyIMMUPNPJDPPZHI-UHFFFAOYSA-N
MW382.40 g/mol
LogP5.41
Rot. Bonds4

About 2-[1-(4-fluorophenyl)triazol-4-yl]-5-phenoxyquinoline

2-[1-(4-fluorophenyl)triazol-4-yl]-5-phenoxyquinoline (PubChem CID 122457237) has the molecular formula C23H15FN4O and a molecular weight of 382.40 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)triazol-4-yl]-5-phenoxyquinoline.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)triazol-4-yl]-5-phenoxyquinoline
PubChem CID122457237
Molecular FormulaC23H15FN4O
Molecular Weight382.40 g/mol
Exact Mass382.12
IUPAC Name2-[1-(4-fluorophenyl)triazol-4-yl]-5-phenoxyquinoline
SMILESFc1ccc(-n2cc(-c3ccc4c(Oc5ccccc5)cccc4n3)nn2)cc1
InChIInChI=1S/C23H15FN4O/c24-16-9-11-17(12-10-16)28-15-22(26-27-28)21-14-13-19-20(25-21)7-4-8-23(19)29-18-5-2-1-3-6-18/h1-15H
InChIKeyIMMUPNPJDPPZHI-UHFFFAOYSA-N
XLogP5.41
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.40
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)triazol-4-yl]-5-phenoxyquinoline?
The IUPAC name of 2-[1-(4-fluorophenyl)triazol-4-yl]-5-phenoxyquinoline (CID 122457237) is 2-[1-(4-fluorophenyl)triazol-4-yl]-5-phenoxyquinoline.
What is the SMILES notation for 2-[1-(4-fluorophenyl)triazol-4-yl]-5-phenoxyquinoline?
The canonical SMILES for 2-[1-(4-fluorophenyl)triazol-4-yl]-5-phenoxyquinoline is Fc1ccc(-n2cc(-c3ccc4c(Oc5ccccc5)cccc4n3)nn2)cc1.
What is the InChIKey of 2-[1-(4-fluorophenyl)triazol-4-yl]-5-phenoxyquinoline?
The InChIKey is IMMUPNPJDPPZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15FN4O/c24-16-9-11-17(12-10-16)28-15-22(26-27-28)21-14-13-19-20(25-21)7-4-8-23(19)29-18-5-2-1-3-6-18/h1-15H.
What are the key properties of 2-[1-(4-fluorophenyl)triazol-4-yl]-5-phenoxyquinoline?
2-[1-(4-fluorophenyl)triazol-4-yl]-5-phenoxyquinoline has a molecular weight of 382.40 g/mol, XLogP of 5.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)triazol-4-yl]-5-phenoxyquinoline is sourced from PubChem (CID 122457237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).