1-[(3-chlorophenyl)methyl]-4-(3,4-dimethylphenyl)pyrazine-2,3-dione

C19H17ClN2O2 — CID 22520380

IUPAC1-[(3-chlorophenyl)methyl]-4-(3,4-dimethylphenyl)pyrazine-2,3-dione
SMILESCc1ccc(-n2ccn(Cc3cccc(Cl)c3)c(=O)c2=O)cc1C
InChIInChI=1S/C19H17ClN2O2/c1-13-6-7-17(10-14(13)2)22-9-8-21(18(23)19(22)24)12-15-4-3-5-16(20)11-15/h3-11H,12H2,1-2H3
InChIKeyLTZJGHQETKCYFT-UHFFFAOYSA-N
MW340.81 g/mol
LogP3.32
Rot. Bonds3

About 1-[(3-chlorophenyl)methyl]-4-(3,4-dimethylphenyl)pyrazine-2,3-dione

1-[(3-chlorophenyl)methyl]-4-(3,4-dimethylphenyl)pyrazine-2,3-dione (PubChem CID 22520380) has the molecular formula C19H17ClN2O2 and a molecular weight of 340.81 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-4-(3,4-dimethylphenyl)pyrazine-2,3-dione.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-4-(3,4-dimethylphenyl)pyrazine-2,3-dione
PubChem CID22520380
Molecular FormulaC19H17ClN2O2
Molecular Weight340.81 g/mol
Exact Mass340.10
IUPAC Name1-[(3-chlorophenyl)methyl]-4-(3,4-dimethylphenyl)pyrazine-2,3-dione
SMILESCc1ccc(-n2ccn(Cc3cccc(Cl)c3)c(=O)c2=O)cc1C
InChIInChI=1S/C19H17ClN2O2/c1-13-6-7-17(10-14(13)2)22-9-8-21(18(23)19(22)24)12-15-4-3-5-16(20)11-15/h3-11H,12H2,1-2H3
InChIKeyLTZJGHQETKCYFT-UHFFFAOYSA-N
XLogP3.32
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(3-chlorophenyl)methyl]-4-(3-methoxyphenyl)pyrazine-2,3-dione
CID 22520455
1-[(3-chlorophenyl)methyl]-4-naphthalen-1-ylpyrazine-2,3-dione
CID 7286772
1-(3,4-dimethoxyphenyl)-4-[(3-methylphenyl)methyl]pyrazine-2,3-dione
CID 22520485
1-benzyl-4-(3,4-difluorophenyl)pyrazine-2,3-dione
CID 22520496
1-but-2-ynyl-4-[(3-chlorophenyl)methyl]pyrazine-2,3-dione
CID 163349730
1-(3-chlorophenyl)-4-(2-methylpropyl)pyrazine-2,3-dione
CID 7286911
1-(3,4-dimethoxyphenyl)-4-[(3-fluorophenyl)methyl]pyrazine-2,3-dione
CID 7286781
1-(3-ethylphenyl)-4-[(4-fluorophenyl)methyl]pyrazine-2,3-dione
CID 7286786
1-(3-chlorophenyl)-4-prop-2-ynylpyrazine-2,3-dione
CID 163355206
1-benzyl-4-[(3-methylphenyl)methyl]pyrazine-2,3-dione
CID 22520187
1-(3-chlorophenyl)-4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazine-2,3-dione
CID 53157872
1-[[3-(aminomethyl)phenyl]methyl]-3-methylpyridin-2-one
CID 63172505

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-4-(3,4-dimethylphenyl)pyrazine-2,3-dione?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-4-(3,4-dimethylphenyl)pyrazine-2,3-dione (CID 22520380) is 1-[(3-chlorophenyl)methyl]-4-(3,4-dimethylphenyl)pyrazine-2,3-dione.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-4-(3,4-dimethylphenyl)pyrazine-2,3-dione?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-4-(3,4-dimethylphenyl)pyrazine-2,3-dione is Cc1ccc(-n2ccn(Cc3cccc(Cl)c3)c(=O)c2=O)cc1C.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-4-(3,4-dimethylphenyl)pyrazine-2,3-dione?
The InChIKey is LTZJGHQETKCYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2/c1-13-6-7-17(10-14(13)2)22-9-8-21(18(23)19(22)24)12-15-4-3-5-16(20)11-15/h3-11H,12H2,1-2H3.
What are the key properties of 1-[(3-chlorophenyl)methyl]-4-(3,4-dimethylphenyl)pyrazine-2,3-dione?
1-[(3-chlorophenyl)methyl]-4-(3,4-dimethylphenyl)pyrazine-2,3-dione has a molecular weight of 340.81 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-4-(3,4-dimethylphenyl)pyrazine-2,3-dione is sourced from PubChem (CID 22520380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).