2-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-6-methylpyridazin-3-one

C14H13ClN2O3 — CID 62922670

IUPAC2-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-6-methylpyridazin-3-one
SMILESCOc1ccc(C(=O)Cn2nc(C)ccc2=O)cc1Cl
InChIInChI=1S/C14H13ClN2O3/c1-9-3-6-14(19)17(16-9)8-12(18)10-4-5-13(20-2)11(15)7-10/h3-7H,8H2,1-2H3
InChIKeyVJSPQLDGESIICU-UHFFFAOYSA-N
MW292.72 g/mol
LogP2.10
Rot. Bonds4

About 2-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-6-methylpyridazin-3-one

2-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-6-methylpyridazin-3-one (PubChem CID 62922670) has the molecular formula C14H13ClN2O3 and a molecular weight of 292.72 g/mol. Its IUPAC name is 2-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-6-methylpyridazin-3-one
PubChem CID62922670
Molecular FormulaC14H13ClN2O3
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC Name2-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-6-methylpyridazin-3-one
SMILESCOc1ccc(C(=O)Cn2nc(C)ccc2=O)cc1Cl
InChIInChI=1S/C14H13ClN2O3/c1-9-3-6-14(19)17(16-9)8-12(18)10-4-5-13(20-2)11(15)7-10/h3-7H,8H2,1-2H3
InChIKeyVJSPQLDGESIICU-UHFFFAOYSA-N
XLogP2.10
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(3,4-difluorophenyl)-2-oxoethyl]-6-methylpyridazin-3-one
CID 55157225
4,5-dichloro-2-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]pyridazin-3-one
CID 7628617
2-amino-1-(3-chloro-4-methoxyphenyl)ethanone
CID 79002249
1-(3-chloro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanone
CID 43227598
1-(3-chloro-4-methoxyphenyl)-3-methylsulfanylpropan-1-one
CID 116830849
2-[2-(3,4-dichlorophenyl)-2-oxoethyl]-5-methylpyridazin-3-one
CID 106548770
1-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-4-methylpiperazine-2,3-dione
CID 62928596
4-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]piperazin-2-one
CID 60680385
1-(3-chloro-4-methoxyphenyl)-3-methylbutan-1-one
CID 43161730
1-(3-chloro-4-methoxyphenyl)-2-morpholin-4-ylethanone
CID 43227712
6-chloro-3-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]quinazolin-4-one
CID 8506237
1-(3-chloro-4-methoxyphenyl)-2-(4-methylpyrimidin-2-yl)sulfanylethanone
CID 62267156

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-6-methylpyridazin-3-one?
The IUPAC name of 2-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-6-methylpyridazin-3-one (CID 62922670) is 2-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-6-methylpyridazin-3-one.
What is the SMILES notation for 2-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-6-methylpyridazin-3-one?
The canonical SMILES for 2-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-6-methylpyridazin-3-one is COc1ccc(C(=O)Cn2nc(C)ccc2=O)cc1Cl.
What is the InChIKey of 2-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-6-methylpyridazin-3-one?
The InChIKey is VJSPQLDGESIICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3/c1-9-3-6-14(19)17(16-9)8-12(18)10-4-5-13(20-2)11(15)7-10/h3-7H,8H2,1-2H3.
What are the key properties of 2-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-6-methylpyridazin-3-one?
2-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-6-methylpyridazin-3-one has a molecular weight of 292.72 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-6-methylpyridazin-3-one is sourced from PubChem (CID 62922670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).