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

C22H16N4O — CID 53393051

IUPAC4-[7-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline
SMILESCOc1ccc(-c2ccn3c(-c4ccnc5ccccc45)nnc3c2)cc1
InChIInChI=1S/C22H16N4O/c1-27-17-8-6-15(7-9-17)16-11-13-26-21(14-16)24-25-22(26)19-10-12-23-20-5-3-2-4-18(19)20/h2-14H,1H3
InChIKeyVWSLCYAZYKTWBU-UHFFFAOYSA-N
MW352.40 g/mol
LogP4.62
Rot. Bonds3

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

4-[7-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline (PubChem CID 53393051) has the molecular formula C22H16N4O and a molecular weight of 352.40 g/mol. Its IUPAC name is 4-[7-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline.

Molecular Properties

Compound Name4-[7-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline
PubChem CID53393051
Molecular FormulaC22H16N4O
Molecular Weight352.40 g/mol
Exact Mass352.13
IUPAC Name4-[7-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline
SMILESCOc1ccc(-c2ccn3c(-c4ccnc5ccccc45)nnc3c2)cc1
InChIInChI=1S/C22H16N4O/c1-27-17-8-6-15(7-9-17)16-11-13-26-21(14-16)24-25-22(26)19-10-12-23-20-5-3-2-4-18(19)20/h2-14H,1H3
InChIKeyVWSLCYAZYKTWBU-UHFFFAOYSA-N
XLogP4.62
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[7-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline?
The IUPAC name of 4-[7-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline (CID 53393051) is 4-[7-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline.
What is the SMILES notation for 4-[7-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline?
The canonical SMILES for 4-[7-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline is COc1ccc(-c2ccn3c(-c4ccnc5ccccc45)nnc3c2)cc1.
What is the InChIKey of 4-[7-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline?
The InChIKey is VWSLCYAZYKTWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O/c1-27-17-8-6-15(7-9-17)16-11-13-26-21(14-16)24-25-22(26)19-10-12-23-20-5-3-2-4-18(19)20/h2-14H,1H3.
What are the key properties of 4-[7-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline?
4-[7-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline has a molecular weight of 352.40 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline is sourced from PubChem (CID 53393051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).