4-[[6-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methoxy]quinoline

C21H16N6O2 — CID 57407142

IUPAC4-[[6-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methoxy]quinoline
SMILESCOc1cccc(-c2cnc3nnc(COc4ccnc5ccccc45)n3n2)c1
InChIInChI=1S/C21H16N6O2/c1-28-15-6-4-5-14(11-15)18-12-23-21-25-24-20(27(21)26-18)13-29-19-9-10-22-17-8-3-2-7-16(17)19/h2-12H,13H2,1H3
InChIKeyFBFANLLSASWNGR-UHFFFAOYSA-N
MW384.40 g/mol
LogP3.32
Rot. Bonds5

About 4-[[6-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methoxy]quinoline

4-[[6-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methoxy]quinoline (PubChem CID 57407142) has the molecular formula C21H16N6O2 and a molecular weight of 384.40 g/mol. Its IUPAC name is 4-[[6-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methoxy]quinoline.

Molecular Properties

Compound Name4-[[6-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methoxy]quinoline
PubChem CID57407142
Molecular FormulaC21H16N6O2
Molecular Weight384.40 g/mol
Exact Mass384.13
IUPAC Name4-[[6-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methoxy]quinoline
SMILESCOc1cccc(-c2cnc3nnc(COc4ccnc5ccccc45)n3n2)c1
InChIInChI=1S/C21H16N6O2/c1-28-15-6-4-5-14(11-15)18-12-23-21-25-24-20(27(21)26-18)13-29-19-9-10-22-17-8-3-2-7-16(17)19/h2-12H,13H2,1H3
InChIKeyFBFANLLSASWNGR-UHFFFAOYSA-N
XLogP3.32
TPSA87.32 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[[6-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methoxy]quinoline with MolForge

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Related Compounds

Tucatinib
CID 51039094
Amg-208
CID 24864821
4-[6-[4-(1-Methylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 50997747
1-Methyl-2-[4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxymethyl]-1H-benzoimidazole
CID 23648644
Triazolopyridazine, 10f
CID 24824705
Triazolopyridazine, 10a
CID 24864822
4-((6-(3-Fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy)-7-methoxyquinoline
CID 24864823
Triazolopyridazine, 10c
CID 24864824
Triazolopyridazine, 10d
CID 24864825
Triazolopyridazine, 10e
CID 24864993
7-methoxy-N-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine
CID 25064730
4-(2-(4-(3-(Quinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl)phenoxy)ethyl)morpholine
CID 50997748

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methoxy]quinoline?
The IUPAC name of 4-[[6-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methoxy]quinoline (CID 57407142) is 4-[[6-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methoxy]quinoline.
What is the SMILES notation for 4-[[6-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methoxy]quinoline?
The canonical SMILES for 4-[[6-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methoxy]quinoline is COc1cccc(-c2cnc3nnc(COc4ccnc5ccccc45)n3n2)c1.
What is the InChIKey of 4-[[6-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methoxy]quinoline?
The InChIKey is FBFANLLSASWNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N6O2/c1-28-15-6-4-5-14(11-15)18-12-23-21-25-24-20(27(21)26-18)13-29-19-9-10-22-17-8-3-2-7-16(17)19/h2-12H,13H2,1H3.
What are the key properties of 4-[[6-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methoxy]quinoline?
4-[[6-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methoxy]quinoline has a molecular weight of 384.40 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methoxy]quinoline is sourced from PubChem (CID 57407142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).