4-(1-chloroethenyl)-2-(3,4-dimethoxyphenyl)-6-methylpyridazin-3-one

C15H15ClN2O3 — CID 138580198

IUPAC4-(1-chloroethenyl)-2-(3,4-dimethoxyphenyl)-6-methylpyridazin-3-one
SMILESC=C(Cl)c1cc(C)nn(-c2ccc(OC)c(OC)c2)c1=O
InChIInChI=1S/C15H15ClN2O3/c1-9-7-12(10(2)16)15(19)18(17-9)11-5-6-13(20-3)14(8-11)21-4/h5-8H,2H2,1,3-4H3
InChIKeyXWAXVFCUQCNLEB-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.77
Rot. Bonds4

About 4-(1-chloroethenyl)-2-(3,4-dimethoxyphenyl)-6-methylpyridazin-3-one

4-(1-chloroethenyl)-2-(3,4-dimethoxyphenyl)-6-methylpyridazin-3-one (PubChem CID 138580198) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is 4-(1-chloroethenyl)-2-(3,4-dimethoxyphenyl)-6-methylpyridazin-3-one.

Molecular Properties

Compound Name4-(1-chloroethenyl)-2-(3,4-dimethoxyphenyl)-6-methylpyridazin-3-one
PubChem CID138580198
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Name4-(1-chloroethenyl)-2-(3,4-dimethoxyphenyl)-6-methylpyridazin-3-one
SMILESC=C(Cl)c1cc(C)nn(-c2ccc(OC)c(OC)c2)c1=O
InChIInChI=1S/C15H15ClN2O3/c1-9-7-12(10(2)16)15(19)18(17-9)11-5-6-13(20-3)14(8-11)21-4/h5-8H,2H2,1,3-4H3
InChIKeyXWAXVFCUQCNLEB-UHFFFAOYSA-N
XLogP2.77
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-2-(3,4-dimethoxyphenyl)-6-methylpyridazin-3-one
CID 138559912
4-(cyclohexanecarbonyl)-2-(3,4-dimethoxyphenyl)-6-methylpyridazin-3-one
CID 151858401
2-(3,4-dimethoxyphenyl)-6-methyl-3-oxopyridazine-4-carbaldehyde
CID 174927014
1-(3,4-dimethoxyphenyl)-6-methyl-4-oxopyridazine-3-carbonyl chloride
CID 82419046
2-(3,4-dichlorophenyl)-6-methyl-3-oxopyridazine-4-carboxylic acid
CID 97058328
5-(3,5-dimethylpyrazol-1-yl)-2-methoxybenzoic acid
CID 82513661
1-[3-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]prop-2-enoxy]phenyl]-3,5-dimethylpyrazole
CID 167447587
ethane;6-methyl-3-oxo-2-phenylpyridazine-4-carboxamide
CID 143678267
2-[6-cyclopropyl-2-(3,4-dimethoxyphenyl)-3-oxopyridazine-4-carbonyl]-4,4,6,6-tetramethylcyclohexane-1,3-dione
CID 175519056
1-(3,4-dimethoxyphenyl)-6-methoxy-4-oxopyridazine-3-carboxylic acid
CID 50928021
1-(3,4-dimethoxyphenyl)-6-methyl-4-oxopyridine-3-carbonyl chloride
CID 82419028
1-(3,4-dimethoxyphenyl)-3,5-dimethylpyrazol-4-amine
CID 39349758

Frequently Asked Questions

What is the IUPAC name of 4-(1-chloroethenyl)-2-(3,4-dimethoxyphenyl)-6-methylpyridazin-3-one?
The IUPAC name of 4-(1-chloroethenyl)-2-(3,4-dimethoxyphenyl)-6-methylpyridazin-3-one (CID 138580198) is 4-(1-chloroethenyl)-2-(3,4-dimethoxyphenyl)-6-methylpyridazin-3-one.
What is the SMILES notation for 4-(1-chloroethenyl)-2-(3,4-dimethoxyphenyl)-6-methylpyridazin-3-one?
The canonical SMILES for 4-(1-chloroethenyl)-2-(3,4-dimethoxyphenyl)-6-methylpyridazin-3-one is C=C(Cl)c1cc(C)nn(-c2ccc(OC)c(OC)c2)c1=O.
What is the InChIKey of 4-(1-chloroethenyl)-2-(3,4-dimethoxyphenyl)-6-methylpyridazin-3-one?
The InChIKey is XWAXVFCUQCNLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c1-9-7-12(10(2)16)15(19)18(17-9)11-5-6-13(20-3)14(8-11)21-4/h5-8H,2H2,1,3-4H3.
What are the key properties of 4-(1-chloroethenyl)-2-(3,4-dimethoxyphenyl)-6-methylpyridazin-3-one?
4-(1-chloroethenyl)-2-(3,4-dimethoxyphenyl)-6-methylpyridazin-3-one has a molecular weight of 306.75 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-chloroethenyl)-2-(3,4-dimethoxyphenyl)-6-methylpyridazin-3-one is sourced from PubChem (CID 138580198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).