4-[7-(4-cyclopentyloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline

C26H22N4O — CID 53393046

IUPAC4-[7-(4-cyclopentyloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline
SMILESc1ccc2c(-c3nnc4cc(-c5ccc(OC6CCCC6)cc5)ccn34)ccnc2c1
InChIInChI=1S/C26H22N4O/c1-2-6-20(5-1)31-21-11-9-18(10-12-21)19-14-16-30-25(17-19)28-29-26(30)23-13-15-27-24-8-4-3-7-22(23)24/h3-4,7-17,20H,1-2,5-6H2
InChIKeyGKKVZNXZLMIOMK-UHFFFAOYSA-N
MW406.49 g/mol
LogP5.93
Rot. Bonds4

About 4-[7-(4-cyclopentyloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline

4-[7-(4-cyclopentyloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline (PubChem CID 53393046) has the molecular formula C26H22N4O and a molecular weight of 406.49 g/mol. Its IUPAC name is 4-[7-(4-cyclopentyloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline.

Molecular Properties

Compound Name4-[7-(4-cyclopentyloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline
PubChem CID53393046
Molecular FormulaC26H22N4O
Molecular Weight406.49 g/mol
Exact Mass406.18
IUPAC Name4-[7-(4-cyclopentyloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline
SMILESc1ccc2c(-c3nnc4cc(-c5ccc(OC6CCCC6)cc5)ccn34)ccnc2c1
InChIInChI=1S/C26H22N4O/c1-2-6-20(5-1)31-21-11-9-18(10-12-21)19-14-16-30-25(17-19)28-29-26(30)23-13-15-27-24-8-4-3-7-22(23)24/h3-4,7-17,20H,1-2,5-6H2
InChIKeyGKKVZNXZLMIOMK-UHFFFAOYSA-N
XLogP5.93
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.49
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[7-(4-cyclopentyloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline?
The IUPAC name of 4-[7-(4-cyclopentyloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline (CID 53393046) is 4-[7-(4-cyclopentyloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline.
What is the SMILES notation for 4-[7-(4-cyclopentyloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline?
The canonical SMILES for 4-[7-(4-cyclopentyloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline is c1ccc2c(-c3nnc4cc(-c5ccc(OC6CCCC6)cc5)ccn34)ccnc2c1.
What is the InChIKey of 4-[7-(4-cyclopentyloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline?
The InChIKey is GKKVZNXZLMIOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O/c1-2-6-20(5-1)31-21-11-9-18(10-12-21)19-14-16-30-25(17-19)28-29-26(30)23-13-15-27-24-8-4-3-7-22(23)24/h3-4,7-17,20H,1-2,5-6H2.
What are the key properties of 4-[7-(4-cyclopentyloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline?
4-[7-(4-cyclopentyloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline has a molecular weight of 406.49 g/mol, XLogP of 5.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(4-cyclopentyloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline is sourced from PubChem (CID 53393046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).