6-(5-methylthiophen-2-yl)-2-(quinolin-6-ylmethyl)pyridazin-3-one

C19H15N3OS — CID 166219828

IUPAC6-(5-methylthiophen-2-yl)-2-(quinolin-6-ylmethyl)pyridazin-3-one
SMILESCc1ccc(-c2ccc(=O)n(Cc3ccc4ncccc4c3)n2)s1
InChIInChI=1S/C19H15N3OS/c1-13-4-8-18(24-13)17-7-9-19(23)22(21-17)12-14-5-6-16-15(11-14)3-2-10-20-16/h2-11H,12H2,1H3
InChIKeyFOERXASZDWJWME-UHFFFAOYSA-N
MW333.42 g/mol
LogP3.88
Rot. Bonds3

About 6-(5-methylthiophen-2-yl)-2-(quinolin-6-ylmethyl)pyridazin-3-one

6-(5-methylthiophen-2-yl)-2-(quinolin-6-ylmethyl)pyridazin-3-one (PubChem CID 166219828) has the molecular formula C19H15N3OS and a molecular weight of 333.42 g/mol. Its IUPAC name is 6-(5-methylthiophen-2-yl)-2-(quinolin-6-ylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-(5-methylthiophen-2-yl)-2-(quinolin-6-ylmethyl)pyridazin-3-one
PubChem CID166219828
Molecular FormulaC19H15N3OS
Molecular Weight333.42 g/mol
Exact Mass333.09
IUPAC Name6-(5-methylthiophen-2-yl)-2-(quinolin-6-ylmethyl)pyridazin-3-one
SMILESCc1ccc(-c2ccc(=O)n(Cc3ccc4ncccc4c3)n2)s1
InChIInChI=1S/C19H15N3OS/c1-13-4-8-18(24-13)17-7-9-19(23)22(21-17)12-14-5-6-16-15(11-14)3-2-10-20-16/h2-11H,12H2,1H3
InChIKeyFOERXASZDWJWME-UHFFFAOYSA-N
XLogP3.88
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[[5-(5-methylthiophen-2-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline
CID 58514910
6-(3-fluoro-5-methylphenyl)-2-(quinolin-6-ylmethyl)pyridazin-3-one
CID 143480942
6-(3,5-difluorophenyl)-2-(quinolin-6-ylmethyl)pyridazin-3-one;ethane
CID 143480962
6-(2-morpholin-4-ylphenyl)-2-(quinolin-6-ylmethyl)pyridazin-3-one
CID 175518278
6-phenyl-2-(2-quinolin-6-ylethyl)pyridazin-3-one
CID 59843000
6-[[5-(4-methylthiophen-2-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline
CID 58514864
6-[(5-thiophen-2-yltriazolo[4,5-b]pyridin-3-yl)methyl]quinoline
CID 54760085
4-iodo-3-methyl-1-(quinolin-6-ylmethyl)pyrazol-5-amine
CID 63968075
2-(quinolin-6-ylmethyl)isoindole-1,3-dione
CID 23079294
1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanol
CID 59341838
3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridine-5-carboxamide
CID 151275107
1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanamine
CID 59341949

Frequently Asked Questions

What is the IUPAC name of 6-(5-methylthiophen-2-yl)-2-(quinolin-6-ylmethyl)pyridazin-3-one?
The IUPAC name of 6-(5-methylthiophen-2-yl)-2-(quinolin-6-ylmethyl)pyridazin-3-one (CID 166219828) is 6-(5-methylthiophen-2-yl)-2-(quinolin-6-ylmethyl)pyridazin-3-one.
What is the SMILES notation for 6-(5-methylthiophen-2-yl)-2-(quinolin-6-ylmethyl)pyridazin-3-one?
The canonical SMILES for 6-(5-methylthiophen-2-yl)-2-(quinolin-6-ylmethyl)pyridazin-3-one is Cc1ccc(-c2ccc(=O)n(Cc3ccc4ncccc4c3)n2)s1.
What is the InChIKey of 6-(5-methylthiophen-2-yl)-2-(quinolin-6-ylmethyl)pyridazin-3-one?
The InChIKey is FOERXASZDWJWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3OS/c1-13-4-8-18(24-13)17-7-9-19(23)22(21-17)12-14-5-6-16-15(11-14)3-2-10-20-16/h2-11H,12H2,1H3.
What are the key properties of 6-(5-methylthiophen-2-yl)-2-(quinolin-6-ylmethyl)pyridazin-3-one?
6-(5-methylthiophen-2-yl)-2-(quinolin-6-ylmethyl)pyridazin-3-one has a molecular weight of 333.42 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methylthiophen-2-yl)-2-(quinolin-6-ylmethyl)pyridazin-3-one is sourced from PubChem (CID 166219828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).