6-naphthalen-1-yl-2-(2-oxo-2-thiomorpholin-4-ylethyl)pyridazin-3-one

C20H19N3O2S — CID 52899075

IUPAC6-naphthalen-1-yl-2-(2-oxo-2-thiomorpholin-4-ylethyl)pyridazin-3-one
SMILESO=C(Cn1nc(-c2cccc3ccccc23)ccc1=O)N1CCSCC1
InChIInChI=1S/C20H19N3O2S/c24-19-9-8-18(17-7-3-5-15-4-1-2-6-16(15)17)21-23(19)14-20(25)22-10-12-26-13-11-22/h1-9H,10-14H2
InChIKeyFNFILCZOVYVXKO-UHFFFAOYSA-N
MW365.46 g/mol
LogP2.64
Rot. Bonds3

About 6-naphthalen-1-yl-2-(2-oxo-2-thiomorpholin-4-ylethyl)pyridazin-3-one

6-naphthalen-1-yl-2-(2-oxo-2-thiomorpholin-4-ylethyl)pyridazin-3-one (PubChem CID 52899075) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is 6-naphthalen-1-yl-2-(2-oxo-2-thiomorpholin-4-ylethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-naphthalen-1-yl-2-(2-oxo-2-thiomorpholin-4-ylethyl)pyridazin-3-one
PubChem CID52899075
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC Name6-naphthalen-1-yl-2-(2-oxo-2-thiomorpholin-4-ylethyl)pyridazin-3-one
SMILESO=C(Cn1nc(-c2cccc3ccccc23)ccc1=O)N1CCSCC1
InChIInChI=1S/C20H19N3O2S/c24-19-9-8-18(17-7-3-5-15-4-1-2-6-16(15)17)21-23(19)14-20(25)22-10-12-26-13-11-22/h1-9H,10-14H2
InChIKeyFNFILCZOVYVXKO-UHFFFAOYSA-N
XLogP2.64
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[1-[2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetyl]piperidin-4-yl]acetate
CID 71704479
6-(4-methoxyphenyl)-2-(2-oxo-2-thiomorpholin-4-ylethyl)pyridazin-3-one
CID 51044367
6-(2-methylphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one
CID 7671966
2-(2-oxo-2-thiomorpholin-4-ylethyl)-6-thiomorpholin-4-ylpyridazin-3-one
CID 53371030
6-(4-fluoro-2-methoxyphenyl)-2-(2-oxo-2-thiomorpholin-4-ylethyl)pyridazin-3-one
CID 51049092
6-(2-methylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one
CID 7671973
2-[[2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetyl]amino]-2-phenylacetic acid
CID 53371090
2-(2-oxo-2-pyrrolidin-1-ylethyl)-6-phenylpyridazin-3-one
CID 7659647
6-naphthalen-1-yl-2-(2-piperidin-1-ylethyl)pyridazin-3-one
CID 7664936
2-[(4-chlorophenyl)methyl]-6-naphthalen-1-ylpyridazin-3-one
CID 16831265
2-[2-(azepan-1-yl)-2-oxoethyl]-6-phenylpyridazin-3-one
CID 7659649
1-[2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]piperidine-4-carboxylic acid
CID 51054227

Frequently Asked Questions

What is the IUPAC name of 6-naphthalen-1-yl-2-(2-oxo-2-thiomorpholin-4-ylethyl)pyridazin-3-one?
The IUPAC name of 6-naphthalen-1-yl-2-(2-oxo-2-thiomorpholin-4-ylethyl)pyridazin-3-one (CID 52899075) is 6-naphthalen-1-yl-2-(2-oxo-2-thiomorpholin-4-ylethyl)pyridazin-3-one.
What is the SMILES notation for 6-naphthalen-1-yl-2-(2-oxo-2-thiomorpholin-4-ylethyl)pyridazin-3-one?
The canonical SMILES for 6-naphthalen-1-yl-2-(2-oxo-2-thiomorpholin-4-ylethyl)pyridazin-3-one is O=C(Cn1nc(-c2cccc3ccccc23)ccc1=O)N1CCSCC1.
What is the InChIKey of 6-naphthalen-1-yl-2-(2-oxo-2-thiomorpholin-4-ylethyl)pyridazin-3-one?
The InChIKey is FNFILCZOVYVXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c24-19-9-8-18(17-7-3-5-15-4-1-2-6-16(15)17)21-23(19)14-20(25)22-10-12-26-13-11-22/h1-9H,10-14H2.
What are the key properties of 6-naphthalen-1-yl-2-(2-oxo-2-thiomorpholin-4-ylethyl)pyridazin-3-one?
6-naphthalen-1-yl-2-(2-oxo-2-thiomorpholin-4-ylethyl)pyridazin-3-one has a molecular weight of 365.46 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-naphthalen-1-yl-2-(2-oxo-2-thiomorpholin-4-ylethyl)pyridazin-3-one is sourced from PubChem (CID 52899075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).