2-benzyl-4-(3-chlorophenyl)-5-methoxypyridazin-3-one

C18H15ClN2O2 — CID 56927430

IUPAC2-benzyl-4-(3-chlorophenyl)-5-methoxypyridazin-3-one
SMILESCOc1cnn(Cc2ccccc2)c(=O)c1-c1cccc(Cl)c1
InChIInChI=1S/C18H15ClN2O2/c1-23-16-11-20-21(12-13-6-3-2-4-7-13)18(22)17(16)14-8-5-9-15(19)10-14/h2-11H,12H2,1H3
InChIKeyUHWCQIHGQZOUCA-UHFFFAOYSA-N
MW326.78 g/mol
LogP3.62
Rot. Bonds4

About 2-benzyl-4-(3-chlorophenyl)-5-methoxypyridazin-3-one

2-benzyl-4-(3-chlorophenyl)-5-methoxypyridazin-3-one (PubChem CID 56927430) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is 2-benzyl-4-(3-chlorophenyl)-5-methoxypyridazin-3-one.

Molecular Properties

Compound Name2-benzyl-4-(3-chlorophenyl)-5-methoxypyridazin-3-one
PubChem CID56927430
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC Name2-benzyl-4-(3-chlorophenyl)-5-methoxypyridazin-3-one
SMILESCOc1cnn(Cc2ccccc2)c(=O)c1-c1cccc(Cl)c1
InChIInChI=1S/C18H15ClN2O2/c1-23-16-11-20-21(12-13-6-3-2-4-7-13)18(22)17(16)14-8-5-9-15(19)10-14/h2-11H,12H2,1H3
InChIKeyUHWCQIHGQZOUCA-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-4-chloro-5-methoxypyridazin-3-one
CID 737015
2-benzyl-5-methoxy-3-oxopyridazine-4-carbonitrile
CID 44604082
2-benzyl-4-benzylsulfanyl-5-methoxypyridazin-3-one
CID 851026
2-benzyl-5-(1-benzyl-5-chloro-6-oxopyridazin-4-yl)oxy-4-chloropyridazin-3-one
CID 11465223
2-benzyl-4-[(2-benzyl-5-methoxy-3-oxopyridazin-4-yl)-hydroxy-phenylmethyl]-5-methoxypyridazin-3-one
CID 44605368
4-chloro-5-methoxy-2-(phenylmethoxymethyl)pyridazin-3-one
CID 90288515
2-benzyl-4-(4-fluorophenyl)-5-(4-methoxyphenyl)pyridazin-3-one
CID 10221746
1-benzyl-5,6-dimethoxyindazole
CID 83414174
(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[5-methoxy-3-oxo-2-(2-oxopropyl)pyridazin-4-yl]phenyl]propanoic acid
CID 11283758
2-benzyl-4-(3-methoxy-2-pyridinyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one
CID 141008698
2-benzyl-5-phenylpyridazin-3-one
CID 71418083
1-[(3-chlorophenyl)methyl]-3,6-dimethoxy-4-phenylquinolin-2-one
CID 142438199

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-(3-chlorophenyl)-5-methoxypyridazin-3-one?
The IUPAC name of 2-benzyl-4-(3-chlorophenyl)-5-methoxypyridazin-3-one (CID 56927430) is 2-benzyl-4-(3-chlorophenyl)-5-methoxypyridazin-3-one.
What is the SMILES notation for 2-benzyl-4-(3-chlorophenyl)-5-methoxypyridazin-3-one?
The canonical SMILES for 2-benzyl-4-(3-chlorophenyl)-5-methoxypyridazin-3-one is COc1cnn(Cc2ccccc2)c(=O)c1-c1cccc(Cl)c1.
What is the InChIKey of 2-benzyl-4-(3-chlorophenyl)-5-methoxypyridazin-3-one?
The InChIKey is UHWCQIHGQZOUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c1-23-16-11-20-21(12-13-6-3-2-4-7-13)18(22)17(16)14-8-5-9-15(19)10-14/h2-11H,12H2,1H3.
What are the key properties of 2-benzyl-4-(3-chlorophenyl)-5-methoxypyridazin-3-one?
2-benzyl-4-(3-chlorophenyl)-5-methoxypyridazin-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-4-(3-chlorophenyl)-5-methoxypyridazin-3-one is sourced from PubChem (CID 56927430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).