4-(chloromethyl)-6-(3-methoxyphenyl)-2-(2-methylpropyl)pyridazin-3-one

C16H19ClN2O2 — CID 82447397

IUPAC4-(chloromethyl)-6-(3-methoxyphenyl)-2-(2-methylpropyl)pyridazin-3-one
SMILESCOc1cccc(-c2cc(CCl)c(=O)n(CC(C)C)n2)c1
InChIInChI=1S/C16H19ClN2O2/c1-11(2)10-19-16(20)13(9-17)8-15(18-19)12-5-4-6-14(7-12)21-3/h4-8,11H,9-10H2,1-3H3
InChIKeyUCCWXJSGLPPPCR-UHFFFAOYSA-N
MW306.79 g/mol
LogP3.31
Rot. Bonds5

About 4-(chloromethyl)-6-(3-methoxyphenyl)-2-(2-methylpropyl)pyridazin-3-one

4-(chloromethyl)-6-(3-methoxyphenyl)-2-(2-methylpropyl)pyridazin-3-one (PubChem CID 82447397) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is 4-(chloromethyl)-6-(3-methoxyphenyl)-2-(2-methylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name4-(chloromethyl)-6-(3-methoxyphenyl)-2-(2-methylpropyl)pyridazin-3-one
PubChem CID82447397
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name4-(chloromethyl)-6-(3-methoxyphenyl)-2-(2-methylpropyl)pyridazin-3-one
SMILESCOc1cccc(-c2cc(CCl)c(=O)n(CC(C)C)n2)c1
InChIInChI=1S/C16H19ClN2O2/c1-11(2)10-19-16(20)13(9-17)8-15(18-19)12-5-4-6-14(7-12)21-3/h4-8,11H,9-10H2,1-3H3
InChIKeyUCCWXJSGLPPPCR-UHFFFAOYSA-N
XLogP3.31
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(hydroxymethyl)-6-(3-methoxyphenyl)-2-propylpyridazin-3-one
CID 82446808
2-[6-(3-methoxyphenyl)-3-oxo-2-propylpyridazin-4-yl]acetonitrile
CID 82446816
4-(chloromethyl)-6-(4-methoxyphenyl)-2-propylpyridazin-3-one
CID 82446854
4-(chloromethyl)-2-methyl-6-(3-propoxyphenyl)pyridazin-3-one
CID 82444242
2-(2-methylpropyl)-3-oxo-6-phenylpyridazine-4-carbonyl chloride
CID 82447273
3-[6-(3-methoxyphenyl)-2-methyl-3-oxopyridazin-4-yl]propanoic acid
CID 82444203
5-ethyl-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 172906425
2-(2-amino-2-oxoethyl)-6-(3-methoxyphenyl)-3-oxopyridazine-4-carboxylic acid
CID 100785224
5-(bromomethyl)-3-(3-methoxyphenyl)-1H-pyridazin-6-one
CID 82445918
5-[(2R)-2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 125128815
2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(6-methylheptan-2-yl)acetamide
CID 51052238
2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanoic acid
CID 139389914

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-6-(3-methoxyphenyl)-2-(2-methylpropyl)pyridazin-3-one?
The IUPAC name of 4-(chloromethyl)-6-(3-methoxyphenyl)-2-(2-methylpropyl)pyridazin-3-one (CID 82447397) is 4-(chloromethyl)-6-(3-methoxyphenyl)-2-(2-methylpropyl)pyridazin-3-one.
What is the SMILES notation for 4-(chloromethyl)-6-(3-methoxyphenyl)-2-(2-methylpropyl)pyridazin-3-one?
The canonical SMILES for 4-(chloromethyl)-6-(3-methoxyphenyl)-2-(2-methylpropyl)pyridazin-3-one is COc1cccc(-c2cc(CCl)c(=O)n(CC(C)C)n2)c1.
What is the InChIKey of 4-(chloromethyl)-6-(3-methoxyphenyl)-2-(2-methylpropyl)pyridazin-3-one?
The InChIKey is UCCWXJSGLPPPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c1-11(2)10-19-16(20)13(9-17)8-15(18-19)12-5-4-6-14(7-12)21-3/h4-8,11H,9-10H2,1-3H3.
What are the key properties of 4-(chloromethyl)-6-(3-methoxyphenyl)-2-(2-methylpropyl)pyridazin-3-one?
4-(chloromethyl)-6-(3-methoxyphenyl)-2-(2-methylpropyl)pyridazin-3-one has a molecular weight of 306.79 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-6-(3-methoxyphenyl)-2-(2-methylpropyl)pyridazin-3-one is sourced from PubChem (CID 82447397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).