5-methyl-2-(2-quinolin-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one

C18H16N4O — CID 123684601

IUPAC5-methyl-2-(2-quinolin-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCc1cccc2nn(CCc3ccc4ccccc4n3)c(=O)n12
InChIInChI=1S/C18H16N4O/c1-13-5-4-8-17-20-21(18(23)22(13)17)12-11-15-10-9-14-6-2-3-7-16(14)19-15/h2-10H,11-12H2,1H3
InChIKeyNKPJFYWPNYGTPM-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.60
Rot. Bonds3

About 5-methyl-2-(2-quinolin-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one

5-methyl-2-(2-quinolin-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 123684601) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 5-methyl-2-(2-quinolin-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name5-methyl-2-(2-quinolin-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID123684601
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name5-methyl-2-(2-quinolin-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCc1cccc2nn(CCc3ccc4ccccc4n3)c(=O)n12
InChIInChI=1S/C18H16N4O/c1-13-5-4-8-17-20-21(18(23)22(13)17)12-11-15-10-9-14-6-2-3-7-16(14)19-15/h2-10H,11-12H2,1H3
InChIKeyNKPJFYWPNYGTPM-UHFFFAOYSA-N
XLogP2.60
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-methyl-2-(2-quinolin-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one with MolForge

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Related Compounds

8-chloro-2-(2-quinolin-2-ylethyl)phthalazin-1-one
CID 71743639
2-[2-(3-methylphenyl)ethyl]quinoline
CID 71620221
2-(10-quinolin-2-yldecyl)quinoline;hydrate
CID 144702573
2-(2-methoxyethyl)quinoline
CID 129321824
8-(4-hydroxyphenyl)-2-(2-quinolin-2-ylethyl)phthalazin-1-one
CID 71558447
7-(5-methyl-2-pyridinyl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149153
N,N'-diethyl-N,N'-bis(quinolin-2-ylmethyl)ethane-1,2-diamine
CID 101381014
2-[2-(2-methylnaphthalen-1-yl)ethyl]quinoline
CID 57166533
7-bromo-2-(2-quinolin-2-ylethyl)-3-sulfanylideneisoindol-1-one
CID 89314255
4-(2-methyl-1,3-thiazol-5-yl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149492
5-phenoxy-2-propyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 118218499
6-ethyl-3-methyl-2-(2-quinolin-2-ylethyl)benzo[e]benzimidazole
CID 123709118

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(2-quinolin-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 5-methyl-2-(2-quinolin-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 123684601) is 5-methyl-2-(2-quinolin-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 5-methyl-2-(2-quinolin-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 5-methyl-2-(2-quinolin-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one is Cc1cccc2nn(CCc3ccc4ccccc4n3)c(=O)n12.
What is the InChIKey of 5-methyl-2-(2-quinolin-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is NKPJFYWPNYGTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-13-5-4-8-17-20-21(18(23)22(13)17)12-11-15-10-9-14-6-2-3-7-16(14)19-15/h2-10H,11-12H2,1H3.
What are the key properties of 5-methyl-2-(2-quinolin-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
5-methyl-2-(2-quinolin-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 304.35 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2-quinolin-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 123684601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).