2-benzyl-5-chloro-4-(4-methoxyphenyl)pyridazin-3-one

C18H15ClN2O2 — CID 56927595

IUPAC2-benzyl-5-chloro-4-(4-methoxyphenyl)pyridazin-3-one
SMILESCOc1ccc(-c2c(Cl)cnn(Cc3ccccc3)c2=O)cc1
InChIInChI=1S/C18H15ClN2O2/c1-23-15-9-7-14(8-10-15)17-16(19)11-20-21(18(17)22)12-13-5-3-2-4-6-13/h2-11H,12H2,1H3
InChIKeyWFJXEIRECCQWIY-UHFFFAOYSA-N
MW326.78 g/mol
LogP3.62
Rot. Bonds4

About 2-benzyl-5-chloro-4-(4-methoxyphenyl)pyridazin-3-one

2-benzyl-5-chloro-4-(4-methoxyphenyl)pyridazin-3-one (PubChem CID 56927595) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is 2-benzyl-5-chloro-4-(4-methoxyphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-benzyl-5-chloro-4-(4-methoxyphenyl)pyridazin-3-one
PubChem CID56927595
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC Name2-benzyl-5-chloro-4-(4-methoxyphenyl)pyridazin-3-one
SMILESCOc1ccc(-c2c(Cl)cnn(Cc3ccccc3)c2=O)cc1
InChIInChI=1S/C18H15ClN2O2/c1-23-15-9-7-14(8-10-15)17-16(19)11-20-21(18(17)22)12-13-5-3-2-4-6-13/h2-11H,12H2,1H3
InChIKeyWFJXEIRECCQWIY-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-(3-chlorobenzyl)-6-(4-methoxyphenyl)pyridazin-3(2H)-one
CID 4051072
2-Benzyl-5,6-bis(4-methoxyphenyl)pyridazin-3-one
CID 18369323
2-(2-phenoxyethyl)-1(2H)-phthalazinone
CID 803124
2-benzyl-6-(4-methoxystyryl)-4,5-dihydro-3(2H)-pyridazinone
CID 1475387
(4-methoxyphenyl)[3-phenyl-5,6-dihydro-1(4H)-pyridazinyl]methanone
CID 1484235
2-benzyl-6-(4-methoxystyryl)-3(2H)-pyridazinone
CID 5707547
2-Benzyl-5-chloro-4-(4-methoxyphenoxy)pyridazin-3-one
CID 53234167
LASSBio-1359
CID 71458967
N-[2-(4-methoxyphenyl)ethyl]-N-methylbenzamide
CID 25208283
N-{6-[(2E)-2-(4-methoxybenzylidene)hydrazino]-6-oxohexyl}benzamide
CID 5986028
(4E)-2-benzyl-4-(4-methoxybenzylidene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
CID 6537808

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-chloro-4-(4-methoxyphenyl)pyridazin-3-one?
The IUPAC name of 2-benzyl-5-chloro-4-(4-methoxyphenyl)pyridazin-3-one (CID 56927595) is 2-benzyl-5-chloro-4-(4-methoxyphenyl)pyridazin-3-one.
What is the SMILES notation for 2-benzyl-5-chloro-4-(4-methoxyphenyl)pyridazin-3-one?
The canonical SMILES for 2-benzyl-5-chloro-4-(4-methoxyphenyl)pyridazin-3-one is COc1ccc(-c2c(Cl)cnn(Cc3ccccc3)c2=O)cc1.
What is the InChIKey of 2-benzyl-5-chloro-4-(4-methoxyphenyl)pyridazin-3-one?
The InChIKey is WFJXEIRECCQWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c1-23-15-9-7-14(8-10-15)17-16(19)11-20-21(18(17)22)12-13-5-3-2-4-6-13/h2-11H,12H2,1H3.
What are the key properties of 2-benzyl-5-chloro-4-(4-methoxyphenyl)pyridazin-3-one?
2-benzyl-5-chloro-4-(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-benzyl-5-chloro-4-(4-methoxyphenyl)pyridazin-3-one is sourced from PubChem (CID 56927595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).