5-chloro-4-(4-ethoxyphenoxy)-2-(naphthalen-1-ylmethyl)pyridazin-3-one

C23H19ClN2O3 — CID 50904434

IUPAC5-chloro-4-(4-ethoxyphenoxy)-2-(naphthalen-1-ylmethyl)pyridazin-3-one
SMILESCCOc1ccc(Oc2c(Cl)cnn(Cc3cccc4ccccc34)c2=O)cc1
InChIInChI=1S/C23H19ClN2O3/c1-2-28-18-10-12-19(13-11-18)29-22-21(24)14-25-26(23(22)27)15-17-8-5-7-16-6-3-4-9-20(16)17/h3-14H,2,15H2,1H3
InChIKeyAIBIJJOISCHDJF-UHFFFAOYSA-N
MW406.87 g/mol
LogP5.29
Rot. Bonds6

About 5-chloro-4-(4-ethoxyphenoxy)-2-(naphthalen-1-ylmethyl)pyridazin-3-one

5-chloro-4-(4-ethoxyphenoxy)-2-(naphthalen-1-ylmethyl)pyridazin-3-one (PubChem CID 50904434) has the molecular formula C23H19ClN2O3 and a molecular weight of 406.87 g/mol. Its IUPAC name is 5-chloro-4-(4-ethoxyphenoxy)-2-(naphthalen-1-ylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-chloro-4-(4-ethoxyphenoxy)-2-(naphthalen-1-ylmethyl)pyridazin-3-one
PubChem CID50904434
Molecular FormulaC23H19ClN2O3
Molecular Weight406.87 g/mol
Exact Mass406.11
IUPAC Name5-chloro-4-(4-ethoxyphenoxy)-2-(naphthalen-1-ylmethyl)pyridazin-3-one
SMILESCCOc1ccc(Oc2c(Cl)cnn(Cc3cccc4ccccc34)c2=O)cc1
InChIInChI=1S/C23H19ClN2O3/c1-2-28-18-10-12-19(13-11-18)29-22-21(24)14-25-26(23(22)27)15-17-8-5-7-16-6-3-4-9-20(16)17/h3-14H,2,15H2,1H3
InChIKeyAIBIJJOISCHDJF-UHFFFAOYSA-N
XLogP5.29
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.87
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-chloro-4-(4-ethoxyphenoxy)-2-(naphthalen-1-ylmethyl)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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(4-ethoxyphenoxy)-2-(naphthalen-1-ylmethyl)pyridazin-3-one?
The IUPAC name of 5-chloro-4-(4-ethoxyphenoxy)-2-(naphthalen-1-ylmethyl)pyridazin-3-one (CID 50904434) is 5-chloro-4-(4-ethoxyphenoxy)-2-(naphthalen-1-ylmethyl)pyridazin-3-one.
What is the SMILES notation for 5-chloro-4-(4-ethoxyphenoxy)-2-(naphthalen-1-ylmethyl)pyridazin-3-one?
The canonical SMILES for 5-chloro-4-(4-ethoxyphenoxy)-2-(naphthalen-1-ylmethyl)pyridazin-3-one is CCOc1ccc(Oc2c(Cl)cnn(Cc3cccc4ccccc34)c2=O)cc1.
What is the InChIKey of 5-chloro-4-(4-ethoxyphenoxy)-2-(naphthalen-1-ylmethyl)pyridazin-3-one?
The InChIKey is AIBIJJOISCHDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O3/c1-2-28-18-10-12-19(13-11-18)29-22-21(24)14-25-26(23(22)27)15-17-8-5-7-16-6-3-4-9-20(16)17/h3-14H,2,15H2,1H3.
What are the key properties of 5-chloro-4-(4-ethoxyphenoxy)-2-(naphthalen-1-ylmethyl)pyridazin-3-one?
5-chloro-4-(4-ethoxyphenoxy)-2-(naphthalen-1-ylmethyl)pyridazin-3-one has a molecular weight of 406.87 g/mol, XLogP of 5.29, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(4-ethoxyphenoxy)-2-(naphthalen-1-ylmethyl)pyridazin-3-one is sourced from PubChem (CID 50904434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).