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

C22H17ClN2O3 — CID 50904454

IUPAC5-chloro-4-(4-methoxyphenoxy)-2-(naphthalen-1-ylmethyl)pyridazin-3-one
SMILESCOc1ccc(Oc2c(Cl)cnn(Cc3cccc4ccccc34)c2=O)cc1
InChIInChI=1S/C22H17ClN2O3/c1-27-17-9-11-18(12-10-17)28-21-20(23)13-24-25(22(21)26)14-16-7-4-6-15-5-2-3-8-19(15)16/h2-13H,14H2,1H3
InChIKeyXJPBPVLUUIORJW-UHFFFAOYSA-N
MW392.84 g/mol
LogP4.90
Rot. Bonds5

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

5-chloro-4-(4-methoxyphenoxy)-2-(naphthalen-1-ylmethyl)pyridazin-3-one (PubChem CID 50904454) has the molecular formula C22H17ClN2O3 and a molecular weight of 392.84 g/mol. Its IUPAC name is 5-chloro-4-(4-methoxyphenoxy)-2-(naphthalen-1-ylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-chloro-4-(4-methoxyphenoxy)-2-(naphthalen-1-ylmethyl)pyridazin-3-one
PubChem CID50904454
Molecular FormulaC22H17ClN2O3
Molecular Weight392.84 g/mol
Exact Mass392.09
IUPAC Name5-chloro-4-(4-methoxyphenoxy)-2-(naphthalen-1-ylmethyl)pyridazin-3-one
SMILESCOc1ccc(Oc2c(Cl)cnn(Cc3cccc4ccccc34)c2=O)cc1
InChIInChI=1S/C22H17ClN2O3/c1-27-17-9-11-18(12-10-17)28-21-20(23)13-24-25(22(21)26)14-16-7-4-6-15-5-2-3-8-19(15)16/h2-13H,14H2,1H3
InChIKeyXJPBPVLUUIORJW-UHFFFAOYSA-N
XLogP4.90
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.84
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(4-methoxyphenoxy)-2-(naphthalen-1-ylmethyl)pyridazin-3-one?
The IUPAC name of 5-chloro-4-(4-methoxyphenoxy)-2-(naphthalen-1-ylmethyl)pyridazin-3-one (CID 50904454) is 5-chloro-4-(4-methoxyphenoxy)-2-(naphthalen-1-ylmethyl)pyridazin-3-one.
What is the SMILES notation for 5-chloro-4-(4-methoxyphenoxy)-2-(naphthalen-1-ylmethyl)pyridazin-3-one?
The canonical SMILES for 5-chloro-4-(4-methoxyphenoxy)-2-(naphthalen-1-ylmethyl)pyridazin-3-one is COc1ccc(Oc2c(Cl)cnn(Cc3cccc4ccccc34)c2=O)cc1.
What is the InChIKey of 5-chloro-4-(4-methoxyphenoxy)-2-(naphthalen-1-ylmethyl)pyridazin-3-one?
The InChIKey is XJPBPVLUUIORJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O3/c1-27-17-9-11-18(12-10-17)28-21-20(23)13-24-25(22(21)26)14-16-7-4-6-15-5-2-3-8-19(15)16/h2-13H,14H2,1H3.
What are the key properties of 5-chloro-4-(4-methoxyphenoxy)-2-(naphthalen-1-ylmethyl)pyridazin-3-one?
5-chloro-4-(4-methoxyphenoxy)-2-(naphthalen-1-ylmethyl)pyridazin-3-one has a molecular weight of 392.84 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(4-methoxyphenoxy)-2-(naphthalen-1-ylmethyl)pyridazin-3-one is sourced from PubChem (CID 50904454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).