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

C23H19ClN2O4 — CID 50904491

IUPAC5-chloro-2-[(2-methoxynaphthalen-1-yl)methyl]-4-(4-methoxyphenoxy)pyridazin-3-one
SMILESCOc1ccc(Oc2c(Cl)cnn(Cc3c(OC)ccc4ccccc34)c2=O)cc1
InChIInChI=1S/C23H19ClN2O4/c1-28-16-8-10-17(11-9-16)30-22-20(24)13-25-26(23(22)27)14-19-18-6-4-3-5-15(18)7-12-21(19)29-2/h3-13H,14H2,1-2H3
InChIKeySPPQMIVIYSUBNJ-UHFFFAOYSA-N
MW422.87 g/mol
LogP4.91
Rot. Bonds6

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

5-chloro-2-[(2-methoxynaphthalen-1-yl)methyl]-4-(4-methoxyphenoxy)pyridazin-3-one (PubChem CID 50904491) has the molecular formula C23H19ClN2O4 and a molecular weight of 422.87 g/mol. Its IUPAC name is 5-chloro-2-[(2-methoxynaphthalen-1-yl)methyl]-4-(4-methoxyphenoxy)pyridazin-3-one.

Molecular Properties

Compound Name5-chloro-2-[(2-methoxynaphthalen-1-yl)methyl]-4-(4-methoxyphenoxy)pyridazin-3-one
PubChem CID50904491
Molecular FormulaC23H19ClN2O4
Molecular Weight422.87 g/mol
Exact Mass422.10
IUPAC Name5-chloro-2-[(2-methoxynaphthalen-1-yl)methyl]-4-(4-methoxyphenoxy)pyridazin-3-one
SMILESCOc1ccc(Oc2c(Cl)cnn(Cc3c(OC)ccc4ccccc34)c2=O)cc1
InChIInChI=1S/C23H19ClN2O4/c1-28-16-8-10-17(11-9-16)30-22-20(24)13-25-26(23(22)27)14-19-18-6-4-3-5-15(18)7-12-21(19)29-2/h3-13H,14H2,1-2H3
InChIKeySPPQMIVIYSUBNJ-UHFFFAOYSA-N
XLogP4.91
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.87
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(2-methoxynaphthalen-1-yl)methyl]-4-(4-methoxyphenoxy)pyridazin-3-one?
The IUPAC name of 5-chloro-2-[(2-methoxynaphthalen-1-yl)methyl]-4-(4-methoxyphenoxy)pyridazin-3-one (CID 50904491) is 5-chloro-2-[(2-methoxynaphthalen-1-yl)methyl]-4-(4-methoxyphenoxy)pyridazin-3-one.
What is the SMILES notation for 5-chloro-2-[(2-methoxynaphthalen-1-yl)methyl]-4-(4-methoxyphenoxy)pyridazin-3-one?
The canonical SMILES for 5-chloro-2-[(2-methoxynaphthalen-1-yl)methyl]-4-(4-methoxyphenoxy)pyridazin-3-one is COc1ccc(Oc2c(Cl)cnn(Cc3c(OC)ccc4ccccc34)c2=O)cc1.
What is the InChIKey of 5-chloro-2-[(2-methoxynaphthalen-1-yl)methyl]-4-(4-methoxyphenoxy)pyridazin-3-one?
The InChIKey is SPPQMIVIYSUBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O4/c1-28-16-8-10-17(11-9-16)30-22-20(24)13-25-26(23(22)27)14-19-18-6-4-3-5-15(18)7-12-21(19)29-2/h3-13H,14H2,1-2H3.
What are the key properties of 5-chloro-2-[(2-methoxynaphthalen-1-yl)methyl]-4-(4-methoxyphenoxy)pyridazin-3-one?
5-chloro-2-[(2-methoxynaphthalen-1-yl)methyl]-4-(4-methoxyphenoxy)pyridazin-3-one has a molecular weight of 422.87 g/mol, XLogP of 4.91, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(2-methoxynaphthalen-1-yl)methyl]-4-(4-methoxyphenoxy)pyridazin-3-one is sourced from PubChem (CID 50904491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).