4-[[6-(furan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline

C20H15N5O3 — CID 24865176

IUPAC4-[[6-(furan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline
SMILESCOc1ccc2c(OCc3nnc4ccc(-c5ccco5)nn34)ccnc2c1
InChIInChI=1S/C20H15N5O3/c1-26-13-4-5-14-16(11-13)21-9-8-17(14)28-12-20-23-22-19-7-6-15(24-25(19)20)18-3-2-10-27-18/h2-11H,12H2,1H3
InChIKeyGQWWLPVCCXCECH-UHFFFAOYSA-N
MW373.37 g/mol
LogP3.52
Rot. Bonds5

About 4-[[6-(furan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline

4-[[6-(furan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline (PubChem CID 24865176) has the molecular formula C20H15N5O3 and a molecular weight of 373.37 g/mol. Its IUPAC name is 4-[[6-(furan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline.

Molecular Properties

Compound Name4-[[6-(furan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline
PubChem CID24865176
Molecular FormulaC20H15N5O3
Molecular Weight373.37 g/mol
Exact Mass373.12
IUPAC Name4-[[6-(furan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline
SMILESCOc1ccc2c(OCc3nnc4ccc(-c5ccco5)nn34)ccnc2c1
InChIInChI=1S/C20H15N5O3/c1-26-13-4-5-14-16(11-13)21-9-8-17(14)28-12-20-23-22-19-7-6-15(24-25(19)20)18-3-2-10-27-18/h2-11H,12H2,1H3
InChIKeyGQWWLPVCCXCECH-UHFFFAOYSA-N
XLogP3.52
TPSA87.57 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[[6-(furan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-(furan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline?
The IUPAC name of 4-[[6-(furan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline (CID 24865176) is 4-[[6-(furan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline.
What is the SMILES notation for 4-[[6-(furan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline?
The canonical SMILES for 4-[[6-(furan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline is COc1ccc2c(OCc3nnc4ccc(-c5ccco5)nn34)ccnc2c1.
What is the InChIKey of 4-[[6-(furan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline?
The InChIKey is GQWWLPVCCXCECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O3/c1-26-13-4-5-14-16(11-13)21-9-8-17(14)28-12-20-23-22-19-7-6-15(24-25(19)20)18-3-2-10-27-18/h2-11H,12H2,1H3.
What are the key properties of 4-[[6-(furan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline?
4-[[6-(furan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline has a molecular weight of 373.37 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(furan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline is sourced from PubChem (CID 24865176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).