2-[(3-chlorophenyl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one

C18H15ClN2O2 — CID 4051072

IUPAC2-[(3-chlorophenyl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one
SMILESCOc1ccc(-c2ccc(=O)n(Cc3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C18H15ClN2O2/c1-23-16-7-5-14(6-8-16)17-9-10-18(22)21(20-17)12-13-3-2-4-15(19)11-13/h2-11H,12H2,1H3
InChIKeyQPUTZKJGEVLSHF-UHFFFAOYSA-N
MW326.78 g/mol
LogP3.62
Rot. Bonds4

About 2-[(3-chlorophenyl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one

2-[(3-chlorophenyl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one (PubChem CID 4051072) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one
PubChem CID4051072
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC Name2-[(3-chlorophenyl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one
SMILESCOc1ccc(-c2ccc(=O)n(Cc3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C18H15ClN2O2/c1-23-16-7-5-14(6-8-16)17-9-10-18(22)21(20-17)12-13-3-2-4-15(19)11-13/h2-11H,12H2,1H3
InChIKeyQPUTZKJGEVLSHF-UHFFFAOYSA-N
XLogP3.62
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Benzyl-6-(4-methoxyphenyl)pyridazin-3-one
CID 6472426
2-[(E)-3-(4-chlorophenyl)prop-2-enyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one
CID 9846993
2-[(4-Chlorophenyl)methyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one
CID 18369317
2-Benzyl-5,6-bis(4-methoxyphenyl)pyridazin-3-one
CID 18369323
2-[(3,4-Dichlorophenyl)methyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one
CID 18369406
2-[(4-Fluorophenyl)methyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one
CID 18369431
2-benzyl-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one
CID 53363720
1-[3-(4-Chloro-phenyl)-5-(4-methoxy-phenyl)-4,5-dihydro-pyrazol-1-yl]-ethanone
CID 4298702
2-benzyl-6-(4-methoxystyryl)-4,5-dihydro-3(2H)-pyridazinone
CID 1475387
1-[5-(4-Methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 2879720
2-(2-chloro-6-fluorobenzyl)-6-(4-methoxyphenyl)pyridazin-3(2H)-one
CID 4051075
3-(4-chlorophenyl)-5-(4-methoxyphenyl)-1-propionyl-4,5-dihydro-1H-pyrazole
CID 4115381

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one?
The IUPAC name of 2-[(3-chlorophenyl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one (CID 4051072) is 2-[(3-chlorophenyl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one?
The canonical SMILES for 2-[(3-chlorophenyl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one is COc1ccc(-c2ccc(=O)n(Cc3cccc(Cl)c3)n2)cc1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one?
The InChIKey is QPUTZKJGEVLSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c1-23-16-7-5-14(6-8-16)17-9-10-18(22)21(20-17)12-13-3-2-4-15(19)11-13/h2-11H,12H2,1H3.
What are the key properties of 2-[(3-chlorophenyl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one?
2-[(3-chlorophenyl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one has a molecular weight of 326.78 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one is sourced from PubChem (CID 4051072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).