2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-(4-methylphenyl)pyridazin-3-one

C20H23N3O4 — CID 4582586

IUPAC2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-(4-methylphenyl)pyridazin-3-one
SMILESCc1ccc(-c2ccc(=O)n(CC(=O)N3CCC4(CC3)OCCO4)n2)cc1
InChIInChI=1S/C20H23N3O4/c1-15-2-4-16(5-3-15)17-6-7-18(24)23(21-17)14-19(25)22-10-8-20(9-11-22)26-12-13-27-20/h2-7H,8-14H2,1H3
InChIKeyOUVRKXXJNJLJOU-UHFFFAOYSA-N
MW369.42 g/mol
LogP1.58
Rot. Bonds3

About 2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-(4-methylphenyl)pyridazin-3-one

2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-(4-methylphenyl)pyridazin-3-one (PubChem CID 4582586) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-(4-methylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-(4-methylphenyl)pyridazin-3-one
PubChem CID4582586
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-(4-methylphenyl)pyridazin-3-one
SMILESCc1ccc(-c2ccc(=O)n(CC(=O)N3CCC4(CC3)OCCO4)n2)cc1
InChIInChI=1S/C20H23N3O4/c1-15-2-4-16(5-3-15)17-6-7-18(24)23(21-17)14-19(25)22-10-8-20(9-11-22)26-12-13-27-20/h2-7H,8-14H2,1H3
InChIKeyOUVRKXXJNJLJOU-UHFFFAOYSA-N
XLogP1.58
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-(4-methylphenyl)pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-2-oxoethyl]-6-phenylpyridazin-3(2H)-one
CID 4061012
2-[3-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-3-oxopropyl]-6-(4-methylphenyl)pyridazin-3(2H)-one
CID 3550503
6-(4-chlorophenyl)-2-[2-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-2-oxoethyl]pyridazin-3(2H)-one
CID 4423280
2-[3-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-3-oxopropyl]-6-(4-methylphenyl)-4,5-dihydropyridazin-3(2H)-one
CID 16194625
2-[3-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-3-oxopropyl]-6-(4-ethylphenyl)-4,5-dihydropyridazin-3(2H)-one
CID 16188118
1,4-Dioxa-8-azaspiro[4.5]dec-8-YL[5-(4-fluorophenyl)-2-methyl-1,1-dioxido-2H-1,2,6-thiadiazin-3-YL]methanone
CID 22515226
N-[1,4]Dioxan-2-ylmethyl-2-(6-oxo-3-p-tolyl-6H-pyridazin-1-yl)-acetamide
CID 24792342
2-[2-(3,5-Dimethylpiperidin-1-YL)-2-oxoethyl]-6-(4-methylphenyl)-2,3-dihydropyridazin-3-one
CID 5068260
2-(2-oxo-2-(piperidin-1-yl)ethyl)-6-(p-tolyl)pyridazin-3(2H)-one
CID 5070826
2-[3-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-3-oxopropyl]-6-phenyl-4,5-dihydro-3(2H)-pyridazinone
CID 6624480
6-(4-Ethylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)pyridazin-3-one
CID 7663181
2-[2-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-phenyl-4,5-dihydropyridazin-3-one
CID 20968259

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-(4-methylphenyl)pyridazin-3-one?
The IUPAC name of 2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-(4-methylphenyl)pyridazin-3-one (CID 4582586) is 2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-(4-methylphenyl)pyridazin-3-one.
What is the SMILES notation for 2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-(4-methylphenyl)pyridazin-3-one?
The canonical SMILES for 2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-(4-methylphenyl)pyridazin-3-one is Cc1ccc(-c2ccc(=O)n(CC(=O)N3CCC4(CC3)OCCO4)n2)cc1.
What is the InChIKey of 2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-(4-methylphenyl)pyridazin-3-one?
The InChIKey is OUVRKXXJNJLJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-15-2-4-16(5-3-15)17-6-7-18(24)23(21-17)14-19(25)22-10-8-20(9-11-22)26-12-13-27-20/h2-7H,8-14H2,1H3.
What are the key properties of 2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-(4-methylphenyl)pyridazin-3-one?
2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-(4-methylphenyl)pyridazin-3-one has a molecular weight of 369.42 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-(4-methylphenyl)pyridazin-3-one is sourced from PubChem (CID 4582586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).