5-chloro-4-(4-methoxyphenoxy)-2-[(4-methylnaphthalen-1-yl)methyl]pyridazin-3-one

C23H19ClN2O3 — CID 50904444

IUPAC5-chloro-4-(4-methoxyphenoxy)-2-[(4-methylnaphthalen-1-yl)methyl]pyridazin-3-one
SMILESCOc1ccc(Oc2c(Cl)cnn(Cc3ccc(C)c4ccccc34)c2=O)cc1
InChIInChI=1S/C23H19ClN2O3/c1-15-7-8-16(20-6-4-3-5-19(15)20)14-26-23(27)22(21(24)13-25-26)29-18-11-9-17(28-2)10-12-18/h3-13H,14H2,1-2H3
InChIKeyJGDGKDFGLRODCT-UHFFFAOYSA-N
MW406.87 g/mol
LogP5.21
Rot. Bonds5

About 5-chloro-4-(4-methoxyphenoxy)-2-[(4-methylnaphthalen-1-yl)methyl]pyridazin-3-one

5-chloro-4-(4-methoxyphenoxy)-2-[(4-methylnaphthalen-1-yl)methyl]pyridazin-3-one (PubChem CID 50904444) has the molecular formula C23H19ClN2O3 and a molecular weight of 406.87 g/mol. Its IUPAC name is 5-chloro-4-(4-methoxyphenoxy)-2-[(4-methylnaphthalen-1-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-chloro-4-(4-methoxyphenoxy)-2-[(4-methylnaphthalen-1-yl)methyl]pyridazin-3-one
PubChem CID50904444
Molecular FormulaC23H19ClN2O3
Molecular Weight406.87 g/mol
Exact Mass406.11
IUPAC Name5-chloro-4-(4-methoxyphenoxy)-2-[(4-methylnaphthalen-1-yl)methyl]pyridazin-3-one
SMILESCOc1ccc(Oc2c(Cl)cnn(Cc3ccc(C)c4ccccc34)c2=O)cc1
InChIInChI=1S/C23H19ClN2O3/c1-15-7-8-16(20-6-4-3-5-19(15)20)14-26-23(27)22(21(24)13-25-26)29-18-11-9-17(28-2)10-12-18/h3-13H,14H2,1-2H3
InChIKeyJGDGKDFGLRODCT-UHFFFAOYSA-N
XLogP5.21
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.87
LogP ≤ 55.21
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-[(4-methylnaphthalen-1-yl)methyl]pyridazin-3-one?
The IUPAC name of 5-chloro-4-(4-methoxyphenoxy)-2-[(4-methylnaphthalen-1-yl)methyl]pyridazin-3-one (CID 50904444) is 5-chloro-4-(4-methoxyphenoxy)-2-[(4-methylnaphthalen-1-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 5-chloro-4-(4-methoxyphenoxy)-2-[(4-methylnaphthalen-1-yl)methyl]pyridazin-3-one?
The canonical SMILES for 5-chloro-4-(4-methoxyphenoxy)-2-[(4-methylnaphthalen-1-yl)methyl]pyridazin-3-one is COc1ccc(Oc2c(Cl)cnn(Cc3ccc(C)c4ccccc34)c2=O)cc1.
What is the InChIKey of 5-chloro-4-(4-methoxyphenoxy)-2-[(4-methylnaphthalen-1-yl)methyl]pyridazin-3-one?
The InChIKey is JGDGKDFGLRODCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O3/c1-15-7-8-16(20-6-4-3-5-19(15)20)14-26-23(27)22(21(24)13-25-26)29-18-11-9-17(28-2)10-12-18/h3-13H,14H2,1-2H3.
What are the key properties of 5-chloro-4-(4-methoxyphenoxy)-2-[(4-methylnaphthalen-1-yl)methyl]pyridazin-3-one?
5-chloro-4-(4-methoxyphenoxy)-2-[(4-methylnaphthalen-1-yl)methyl]pyridazin-3-one has a molecular weight of 406.87 g/mol, XLogP of 5.21, 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-[(4-methylnaphthalen-1-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 50904444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).