7-methoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-4-amine

C22H18N6O — CID 25064072

IUPAC7-methoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-4-amine
SMILESCOc1ccc2c(NCc3nnc4ccc(-c5ccccc5)nn34)ccnc2c1
InChIInChI=1S/C22H18N6O/c1-29-16-7-8-17-19(11-12-23-20(17)13-16)24-14-22-26-25-21-10-9-18(27-28(21)22)15-5-3-2-4-6-15/h2-13H,14H2,1H3,(H,23,24)
InChIKeyXLJQUFRVZDFEAF-UHFFFAOYSA-N
MW382.43 g/mol
LogP3.96
Rot. Bonds5

About 7-methoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-4-amine

7-methoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-4-amine (PubChem CID 25064072) has the molecular formula C22H18N6O and a molecular weight of 382.43 g/mol. Its IUPAC name is 7-methoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-4-amine.

Molecular Properties

Compound Name7-methoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-4-amine
PubChem CID25064072
Molecular FormulaC22H18N6O
Molecular Weight382.43 g/mol
Exact Mass382.15
IUPAC Name7-methoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-4-amine
SMILESCOc1ccc2c(NCc3nnc4ccc(-c5ccccc5)nn34)ccnc2c1
InChIInChI=1S/C22H18N6O/c1-29-16-7-8-17-19(11-12-23-20(17)13-16)24-14-22-26-25-21-10-9-18(27-28(21)22)15-5-3-2-4-6-15/h2-13H,14H2,1H3,(H,23,24)
InChIKeyXLJQUFRVZDFEAF-UHFFFAOYSA-N
XLogP3.96
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-methoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-4-amine?
The IUPAC name of 7-methoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-4-amine (CID 25064072) is 7-methoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-4-amine.
What is the SMILES notation for 7-methoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-4-amine?
The canonical SMILES for 7-methoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-4-amine is COc1ccc2c(NCc3nnc4ccc(-c5ccccc5)nn34)ccnc2c1.
What is the InChIKey of 7-methoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-4-amine?
The InChIKey is XLJQUFRVZDFEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6O/c1-29-16-7-8-17-19(11-12-23-20(17)13-16)24-14-22-26-25-21-10-9-18(27-28(21)22)15-5-3-2-4-6-15/h2-13H,14H2,1H3,(H,23,24).
What are the key properties of 7-methoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-4-amine?
7-methoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-4-amine has a molecular weight of 382.43 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-4-amine is sourced from PubChem (CID 25064072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).