5-chloro-4-(4-methoxyphenoxy)-2-[(2-methoxyphenyl)methyl]pyridazin-3-one

C19H17ClN2O4 — CID 53257006

IUPAC5-chloro-4-(4-methoxyphenoxy)-2-[(2-methoxyphenyl)methyl]pyridazin-3-one
SMILESCOc1ccc(Oc2c(Cl)cnn(Cc3ccccc3OC)c2=O)cc1
InChIInChI=1S/C19H17ClN2O4/c1-24-14-7-9-15(10-8-14)26-18-16(20)11-21-22(19(18)23)12-13-5-3-4-6-17(13)25-2/h3-11H,12H2,1-2H3
InChIKeyOIWYVTVIDWUAIX-UHFFFAOYSA-N
MW372.81 g/mol
LogP3.75
Rot. Bonds6

About 5-chloro-4-(4-methoxyphenoxy)-2-[(2-methoxyphenyl)methyl]pyridazin-3-one

5-chloro-4-(4-methoxyphenoxy)-2-[(2-methoxyphenyl)methyl]pyridazin-3-one (PubChem CID 53257006) has the molecular formula C19H17ClN2O4 and a molecular weight of 372.81 g/mol. Its IUPAC name is 5-chloro-4-(4-methoxyphenoxy)-2-[(2-methoxyphenyl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-chloro-4-(4-methoxyphenoxy)-2-[(2-methoxyphenyl)methyl]pyridazin-3-one
PubChem CID53257006
Molecular FormulaC19H17ClN2O4
Molecular Weight372.81 g/mol
Exact Mass372.09
IUPAC Name5-chloro-4-(4-methoxyphenoxy)-2-[(2-methoxyphenyl)methyl]pyridazin-3-one
SMILESCOc1ccc(Oc2c(Cl)cnn(Cc3ccccc3OC)c2=O)cc1
InChIInChI=1S/C19H17ClN2O4/c1-24-14-7-9-15(10-8-14)26-18-16(20)11-21-22(19(18)23)12-13-5-3-4-6-17(13)25-2/h3-11H,12H2,1-2H3
InChIKeyOIWYVTVIDWUAIX-UHFFFAOYSA-N
XLogP3.75
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(4-methoxyphenoxy)-2-[(2-methoxyphenyl)methyl]pyridazin-3-one?
The IUPAC name of 5-chloro-4-(4-methoxyphenoxy)-2-[(2-methoxyphenyl)methyl]pyridazin-3-one (CID 53257006) is 5-chloro-4-(4-methoxyphenoxy)-2-[(2-methoxyphenyl)methyl]pyridazin-3-one.
What is the SMILES notation for 5-chloro-4-(4-methoxyphenoxy)-2-[(2-methoxyphenyl)methyl]pyridazin-3-one?
The canonical SMILES for 5-chloro-4-(4-methoxyphenoxy)-2-[(2-methoxyphenyl)methyl]pyridazin-3-one is COc1ccc(Oc2c(Cl)cnn(Cc3ccccc3OC)c2=O)cc1.
What is the InChIKey of 5-chloro-4-(4-methoxyphenoxy)-2-[(2-methoxyphenyl)methyl]pyridazin-3-one?
The InChIKey is OIWYVTVIDWUAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O4/c1-24-14-7-9-15(10-8-14)26-18-16(20)11-21-22(19(18)23)12-13-5-3-4-6-17(13)25-2/h3-11H,12H2,1-2H3.
What are the key properties of 5-chloro-4-(4-methoxyphenoxy)-2-[(2-methoxyphenyl)methyl]pyridazin-3-one?
5-chloro-4-(4-methoxyphenoxy)-2-[(2-methoxyphenyl)methyl]pyridazin-3-one has a molecular weight of 372.81 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(4-methoxyphenoxy)-2-[(2-methoxyphenyl)methyl]pyridazin-3-one is sourced from PubChem (CID 53257006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).