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

C20H15N5O2S — CID 24864998

IUPAC7-methoxy-4-[(6-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline
SMILESCOc1ccc2c(OCc3nnc4ccc(-c5ccsc5)nn34)ccnc2c1
InChIInChI=1S/C20H15N5O2S/c1-26-14-2-3-15-17(10-14)21-8-6-18(15)27-11-20-23-22-19-5-4-16(24-25(19)20)13-7-9-28-12-13/h2-10,12H,11H2,1H3
InChIKeyJLEZWYSUABKIIE-UHFFFAOYSA-N
MW389.44 g/mol
LogP3.99
Rot. Bonds5

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

7-methoxy-4-[(6-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline (PubChem CID 24864998) has the molecular formula C20H15N5O2S and a molecular weight of 389.44 g/mol. Its IUPAC name is 7-methoxy-4-[(6-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline.

Molecular Properties

Compound Name7-methoxy-4-[(6-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline
PubChem CID24864998
Molecular FormulaC20H15N5O2S
Molecular Weight389.44 g/mol
Exact Mass389.09
IUPAC Name7-methoxy-4-[(6-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline
SMILESCOc1ccc2c(OCc3nnc4ccc(-c5ccsc5)nn34)ccnc2c1
InChIInChI=1S/C20H15N5O2S/c1-26-14-2-3-15-17(10-14)21-8-6-18(15)27-11-20-23-22-19-5-4-16(24-25(19)20)13-7-9-28-12-13/h2-10,12H,11H2,1H3
InChIKeyJLEZWYSUABKIIE-UHFFFAOYSA-N
XLogP3.99
TPSA74.43 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.44
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-[(6-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline?
The IUPAC name of 7-methoxy-4-[(6-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline (CID 24864998) is 7-methoxy-4-[(6-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline.
What is the SMILES notation for 7-methoxy-4-[(6-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline?
The canonical SMILES for 7-methoxy-4-[(6-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline is COc1ccc2c(OCc3nnc4ccc(-c5ccsc5)nn34)ccnc2c1.
What is the InChIKey of 7-methoxy-4-[(6-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline?
The InChIKey is JLEZWYSUABKIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O2S/c1-26-14-2-3-15-17(10-14)21-8-6-18(15)27-11-20-23-22-19-5-4-16(24-25(19)20)13-7-9-28-12-13/h2-10,12H,11H2,1H3.
What are the key properties of 7-methoxy-4-[(6-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline?
7-methoxy-4-[(6-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline has a molecular weight of 389.44 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-[(6-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline is sourced from PubChem (CID 24864998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).