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

C23H19N5O2 — CID 25064510

IUPAC7-methoxy-4-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethoxy]quinoline
SMILESCOc1ccc2c(O[C@@H](C)c3nnc4ccc(-c5ccccc5)nn34)ccnc2c1
InChIInChI=1S/C23H19N5O2/c1-15(30-21-12-13-24-20-14-17(29-2)8-9-18(20)21)23-26-25-22-11-10-19(27-28(22)23)16-6-4-3-5-7-16/h3-15H,1-2H3/t15-/m0/s1
InChIKeyFKNPFDGOZHGKTD-HNNXBMFYSA-N
MW397.44 g/mol
LogP4.49
Rot. Bonds5

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

7-methoxy-4-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethoxy]quinoline (PubChem CID 25064510) has the molecular formula C23H19N5O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is 7-methoxy-4-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethoxy]quinoline.

Molecular Properties

Compound Name7-methoxy-4-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethoxy]quinoline
PubChem CID25064510
Molecular FormulaC23H19N5O2
Molecular Weight397.44 g/mol
Exact Mass397.15
IUPAC Name7-methoxy-4-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethoxy]quinoline
SMILESCOc1ccc2c(O[C@@H](C)c3nnc4ccc(-c5ccccc5)nn34)ccnc2c1
InChIInChI=1S/C23H19N5O2/c1-15(30-21-12-13-24-20-14-17(29-2)8-9-18(20)21)23-26-25-22-11-10-19(27-28(22)23)16-6-4-3-5-7-16/h3-15H,1-2H3/t15-/m0/s1
InChIKeyFKNPFDGOZHGKTD-HNNXBMFYSA-N
XLogP4.49
TPSA74.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethoxy]quinoline?
The IUPAC name of 7-methoxy-4-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethoxy]quinoline (CID 25064510) is 7-methoxy-4-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethoxy]quinoline.
What is the SMILES notation for 7-methoxy-4-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethoxy]quinoline?
The canonical SMILES for 7-methoxy-4-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethoxy]quinoline is COc1ccc2c(O[C@@H](C)c3nnc4ccc(-c5ccccc5)nn34)ccnc2c1.
What is the InChIKey of 7-methoxy-4-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethoxy]quinoline?
The InChIKey is FKNPFDGOZHGKTD-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H19N5O2/c1-15(30-21-12-13-24-20-14-17(29-2)8-9-18(20)21)23-26-25-22-11-10-19(27-28(22)23)16-6-4-3-5-7-16/h3-15H,1-2H3/t15-/m0/s1.
What are the key properties of 7-methoxy-4-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethoxy]quinoline?
7-methoxy-4-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethoxy]quinoline has a molecular weight of 397.44 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethoxy]quinoline is sourced from PubChem (CID 25064510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).