3,5-dichloro-1-[(4-methoxyphenyl)methyl]-6-methylpyrazin-2-one

C13H12Cl2N2O2 — CID 11120090

IUPAC3,5-dichloro-1-[(4-methoxyphenyl)methyl]-6-methylpyrazin-2-one
SMILESCOc1ccc(Cn2c(C)c(Cl)nc(Cl)c2=O)cc1
InChIInChI=1S/C13H12Cl2N2O2/c1-8-11(14)16-12(15)13(18)17(8)7-9-3-5-10(19-2)6-4-9/h3-6H,7H2,1-2H3
InChIKeyFYCVIXDRQDKFOD-UHFFFAOYSA-N
MW299.16 g/mol
LogP2.92
Rot. Bonds3

About 3,5-dichloro-1-[(4-methoxyphenyl)methyl]-6-methylpyrazin-2-one

3,5-dichloro-1-[(4-methoxyphenyl)methyl]-6-methylpyrazin-2-one (PubChem CID 11120090) has the molecular formula C13H12Cl2N2O2 and a molecular weight of 299.16 g/mol. Its IUPAC name is 3,5-dichloro-1-[(4-methoxyphenyl)methyl]-6-methylpyrazin-2-one.

Molecular Properties

Compound Name3,5-dichloro-1-[(4-methoxyphenyl)methyl]-6-methylpyrazin-2-one
PubChem CID11120090
Molecular FormulaC13H12Cl2N2O2
Molecular Weight299.16 g/mol
Exact Mass298.03
IUPAC Name3,5-dichloro-1-[(4-methoxyphenyl)methyl]-6-methylpyrazin-2-one
SMILESCOc1ccc(Cn2c(C)c(Cl)nc(Cl)c2=O)cc1
InChIInChI=1S/C13H12Cl2N2O2/c1-8-11(14)16-12(15)13(18)17(8)7-9-3-5-10(19-2)6-4-9/h3-6H,7H2,1-2H3
InChIKeyFYCVIXDRQDKFOD-UHFFFAOYSA-N
XLogP2.92
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 4868340
1-((4-Methoxyphenyl)methyl)-1H-pyrrole-2,5-dione
CID 2737837
2-chloro-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide
CID 2496513
2-chloro-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide
CID 4961984
1-(4-methoxybenzyl)-3,5-dichloropyrazine-2(1H)-one
CID 15498463
2-chloro-N-((4-methoxyphenyl)methyl)acetamide
CID 2404833
6-(4-methoxyphenyl)-2-oxo-1H-pyrazine-3-carboxamide
CID 293601
3,5-Dichloro-6-(3-methoxy-phenyl)-1-methyl-1H-pyrazin-2-one
CID 13062966
2,2,2-trichloro-N-(4-methoxybenzyl)acetamide
CID 694771
2-chloro-N-[2-(4-methoxyphenyl)-2-(piperidin-1-yl)ethyl]acetamide hydrochloride
CID 16245732
2-Chloro-1-(2-(4-methoxyphenyl)pyrrolidin-1-yl)ethan-1-one
CID 50989252
2-Chloro-1-[2-(4-methoxyphenyl)azepan-1-yl]ethan-1-one
CID 54592454

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-1-[(4-methoxyphenyl)methyl]-6-methylpyrazin-2-one?
The IUPAC name of 3,5-dichloro-1-[(4-methoxyphenyl)methyl]-6-methylpyrazin-2-one (CID 11120090) is 3,5-dichloro-1-[(4-methoxyphenyl)methyl]-6-methylpyrazin-2-one.
What is the SMILES notation for 3,5-dichloro-1-[(4-methoxyphenyl)methyl]-6-methylpyrazin-2-one?
The canonical SMILES for 3,5-dichloro-1-[(4-methoxyphenyl)methyl]-6-methylpyrazin-2-one is COc1ccc(Cn2c(C)c(Cl)nc(Cl)c2=O)cc1.
What is the InChIKey of 3,5-dichloro-1-[(4-methoxyphenyl)methyl]-6-methylpyrazin-2-one?
The InChIKey is FYCVIXDRQDKFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O2/c1-8-11(14)16-12(15)13(18)17(8)7-9-3-5-10(19-2)6-4-9/h3-6H,7H2,1-2H3.
What are the key properties of 3,5-dichloro-1-[(4-methoxyphenyl)methyl]-6-methylpyrazin-2-one?
3,5-dichloro-1-[(4-methoxyphenyl)methyl]-6-methylpyrazin-2-one has a molecular weight of 299.16 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-1-[(4-methoxyphenyl)methyl]-6-methylpyrazin-2-one is sourced from PubChem (CID 11120090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).