2-[2-(6-fluoroquinolin-2-yl)ethenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-ol

C18H13FN4O — CID 154441453

IUPAC2-[2-(6-fluoroquinolin-2-yl)ethenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-ol
SMILESCc1ccc(O)c2nc(C=Cc3ccc4cc(F)ccc4n3)nn12
InChIInChI=1S/C18H13FN4O/c1-11-2-8-16(24)18-21-17(22-23(11)18)9-6-14-5-3-12-10-13(19)4-7-15(12)20-14/h2-10,24H,1H3
InChIKeyXQXXIZHWRNQICX-UHFFFAOYSA-N
MW320.33 g/mol
LogP3.60
Rot. Bonds2

About 2-[2-(6-fluoroquinolin-2-yl)ethenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-ol

2-[2-(6-fluoroquinolin-2-yl)ethenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-ol (PubChem CID 154441453) has the molecular formula C18H13FN4O and a molecular weight of 320.33 g/mol. Its IUPAC name is 2-[2-(6-fluoroquinolin-2-yl)ethenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-ol.

Molecular Properties

Compound Name2-[2-(6-fluoroquinolin-2-yl)ethenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-ol
PubChem CID154441453
Molecular FormulaC18H13FN4O
Molecular Weight320.33 g/mol
Exact Mass320.11
IUPAC Name2-[2-(6-fluoroquinolin-2-yl)ethenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-ol
SMILESCc1ccc(O)c2nc(C=Cc3ccc4cc(F)ccc4n3)nn12
InChIInChI=1S/C18H13FN4O/c1-11-2-8-16(24)18-21-17(22-23(11)18)9-6-14-5-3-12-10-13(19)4-7-15(12)20-14/h2-10,24H,1H3
InChIKeyXQXXIZHWRNQICX-UHFFFAOYSA-N
XLogP3.60
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-fluoroquinolin-2-yl)ethenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-ol?
The IUPAC name of 2-[2-(6-fluoroquinolin-2-yl)ethenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-ol (CID 154441453) is 2-[2-(6-fluoroquinolin-2-yl)ethenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-ol.
What is the SMILES notation for 2-[2-(6-fluoroquinolin-2-yl)ethenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-ol?
The canonical SMILES for 2-[2-(6-fluoroquinolin-2-yl)ethenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-ol is Cc1ccc(O)c2nc(C=Cc3ccc4cc(F)ccc4n3)nn12.
What is the InChIKey of 2-[2-(6-fluoroquinolin-2-yl)ethenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-ol?
The InChIKey is XQXXIZHWRNQICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O/c1-11-2-8-16(24)18-21-17(22-23(11)18)9-6-14-5-3-12-10-13(19)4-7-15(12)20-14/h2-10,24H,1H3.
What are the key properties of 2-[2-(6-fluoroquinolin-2-yl)ethenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-ol?
2-[2-(6-fluoroquinolin-2-yl)ethenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-ol has a molecular weight of 320.33 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-fluoroquinolin-2-yl)ethenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-ol is sourced from PubChem (CID 154441453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).