6-phenyl-2-(2-quinolin-6-ylethyl)pyridazin-3-one

C21H17N3O — CID 59843000

IUPAC6-phenyl-2-(2-quinolin-6-ylethyl)pyridazin-3-one
SMILESO=c1ccc(-c2ccccc2)nn1CCc1ccc2ncccc2c1
InChIInChI=1S/C21H17N3O/c25-21-11-10-20(17-5-2-1-3-6-17)23-24(21)14-12-16-8-9-19-18(15-16)7-4-13-22-19/h1-11,13,15H,12,14H2
InChIKeyIJAKCDJSNJMCGU-UHFFFAOYSA-N
MW327.39 g/mol
LogP3.70
Rot. Bonds4

About 6-phenyl-2-(2-quinolin-6-ylethyl)pyridazin-3-one

6-phenyl-2-(2-quinolin-6-ylethyl)pyridazin-3-one (PubChem CID 59843000) has the molecular formula C21H17N3O and a molecular weight of 327.39 g/mol. Its IUPAC name is 6-phenyl-2-(2-quinolin-6-ylethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-phenyl-2-(2-quinolin-6-ylethyl)pyridazin-3-one
PubChem CID59843000
Molecular FormulaC21H17N3O
Molecular Weight327.39 g/mol
Exact Mass327.14
IUPAC Name6-phenyl-2-(2-quinolin-6-ylethyl)pyridazin-3-one
SMILESO=c1ccc(-c2ccccc2)nn1CCc1ccc2ncccc2c1
InChIInChI=1S/C21H17N3O/c25-21-11-10-20(17-5-2-1-3-6-17)23-24(21)14-12-16-8-9-19-18(15-16)7-4-13-22-19/h1-11,13,15H,12,14H2
InChIKeyIJAKCDJSNJMCGU-UHFFFAOYSA-N
XLogP3.70
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2-(2-quinolin-6-ylethyl)pyridazin-3-one?
The IUPAC name of 6-phenyl-2-(2-quinolin-6-ylethyl)pyridazin-3-one (CID 59843000) is 6-phenyl-2-(2-quinolin-6-ylethyl)pyridazin-3-one.
What is the SMILES notation for 6-phenyl-2-(2-quinolin-6-ylethyl)pyridazin-3-one?
The canonical SMILES for 6-phenyl-2-(2-quinolin-6-ylethyl)pyridazin-3-one is O=c1ccc(-c2ccccc2)nn1CCc1ccc2ncccc2c1.
What is the InChIKey of 6-phenyl-2-(2-quinolin-6-ylethyl)pyridazin-3-one?
The InChIKey is IJAKCDJSNJMCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O/c25-21-11-10-20(17-5-2-1-3-6-17)23-24(21)14-12-16-8-9-19-18(15-16)7-4-13-22-19/h1-11,13,15H,12,14H2.
What are the key properties of 6-phenyl-2-(2-quinolin-6-ylethyl)pyridazin-3-one?
6-phenyl-2-(2-quinolin-6-ylethyl)pyridazin-3-one has a molecular weight of 327.39 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-2-(2-quinolin-6-ylethyl)pyridazin-3-one is sourced from PubChem (CID 59843000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).