4-[(6-ethynyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]-7-methoxyquinoline

C19H14N4O2 — CID 86630263

IUPAC4-[(6-ethynyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]-7-methoxyquinoline
SMILESC#Cc1ccc2nnc(COc3ccnc4cc(OC)ccc34)n2c1
InChIInChI=1S/C19H14N4O2/c1-3-13-4-7-18-21-22-19(23(18)11-13)12-25-17-8-9-20-16-10-14(24-2)5-6-15(16)17/h1,4-11H,12H2,2H3
InChIKeyRYHZRAQXKYQCBY-UHFFFAOYSA-N
MW330.35 g/mol
LogP2.85
Rot. Bonds4

About 4-[(6-ethynyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]-7-methoxyquinoline

4-[(6-ethynyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]-7-methoxyquinoline (PubChem CID 86630263) has the molecular formula C19H14N4O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 4-[(6-ethynyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]-7-methoxyquinoline.

Molecular Properties

Compound Name4-[(6-ethynyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]-7-methoxyquinoline
PubChem CID86630263
Molecular FormulaC19H14N4O2
Molecular Weight330.35 g/mol
Exact Mass330.11
IUPAC Name4-[(6-ethynyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]-7-methoxyquinoline
SMILESC#Cc1ccc2nnc(COc3ccnc4cc(OC)ccc34)n2c1
InChIInChI=1S/C19H14N4O2/c1-3-13-4-7-18-21-22-19(23(18)11-13)12-25-17-8-9-20-16-10-14(24-2)5-6-15(16)17/h1,4-11H,12H2,2H3
InChIKeyRYHZRAQXKYQCBY-UHFFFAOYSA-N
XLogP2.85
TPSA61.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-[(6-ethynyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]-7-methoxyquinoline with MolForge

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Launch Full Analysis

Related Compounds

4-[[6-(6-fluoro-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline
CID 67502414
5-[[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]thiophene-2-carboxamide
CID 91152551
7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline
CID 24864821
7-methoxy-4-[[6-(5-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline
CID 25065754
4,7-dimethoxyquinoline
CID 20743716
4-[[6-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline
CID 24864824
2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile
CID 25067199
3-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide
CID 25064305
[4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]phenyl]methanol
CID 123817520
[2-chloro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl] N-methylcarbamate
CID 67954020
4-[[6-(3-fluoro-4-methoxyphenyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline
CID 89491152
7-methoxy-4-[(4-methylsulfinylphenyl)methoxy]quinoline
CID 157040683

Frequently Asked Questions

What is the IUPAC name of 4-[(6-ethynyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]-7-methoxyquinoline?
The IUPAC name of 4-[(6-ethynyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]-7-methoxyquinoline (CID 86630263) is 4-[(6-ethynyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]-7-methoxyquinoline.
What is the SMILES notation for 4-[(6-ethynyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]-7-methoxyquinoline?
The canonical SMILES for 4-[(6-ethynyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]-7-methoxyquinoline is C#Cc1ccc2nnc(COc3ccnc4cc(OC)ccc34)n2c1.
What is the InChIKey of 4-[(6-ethynyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]-7-methoxyquinoline?
The InChIKey is RYHZRAQXKYQCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O2/c1-3-13-4-7-18-21-22-19(23(18)11-13)12-25-17-8-9-20-16-10-14(24-2)5-6-15(16)17/h1,4-11H,12H2,2H3.
What are the key properties of 4-[(6-ethynyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]-7-methoxyquinoline?
4-[(6-ethynyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]-7-methoxyquinoline has a molecular weight of 330.35 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-ethynyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]-7-methoxyquinoline is sourced from PubChem (CID 86630263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).