1-(4-chloro-3-methylphenyl)-4-(2-methoxyethyl)pyrazine-2,3-dione

C14H15ClN2O3 — CID 172906128

IUPAC1-(4-chloro-3-methylphenyl)-4-(2-methoxyethyl)pyrazine-2,3-dione
SMILESCOCCn1ccn(-c2ccc(Cl)c(C)c2)c(=O)c1=O
InChIInChI=1S/C14H15ClN2O3/c1-10-9-11(3-4-12(10)15)17-6-5-16(7-8-20-2)13(18)14(17)19/h3-6,9H,7-8H2,1-2H3
InChIKeyFMDNJGAUYGWSAW-UHFFFAOYSA-N
MW294.74 g/mol
LogP1.61
Rot. Bonds4

About 1-(4-chloro-3-methylphenyl)-4-(2-methoxyethyl)pyrazine-2,3-dione

1-(4-chloro-3-methylphenyl)-4-(2-methoxyethyl)pyrazine-2,3-dione (PubChem CID 172906128) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is 1-(4-chloro-3-methylphenyl)-4-(2-methoxyethyl)pyrazine-2,3-dione.

Molecular Properties

Compound Name1-(4-chloro-3-methylphenyl)-4-(2-methoxyethyl)pyrazine-2,3-dione
PubChem CID172906128
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC Name1-(4-chloro-3-methylphenyl)-4-(2-methoxyethyl)pyrazine-2,3-dione
SMILESCOCCn1ccn(-c2ccc(Cl)c(C)c2)c(=O)c1=O
InChIInChI=1S/C14H15ClN2O3/c1-10-9-11(3-4-12(10)15)17-6-5-16(7-8-20-2)13(18)14(17)19/h3-6,9H,7-8H2,1-2H3
InChIKeyFMDNJGAUYGWSAW-UHFFFAOYSA-N
XLogP1.61
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-(4-chloro-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 172906478
2-chloro-1-(2-methoxyethyl)pyridin-4-one
CID 130711091
1-[(2-chloro-6-fluorophenyl)methyl]-4-(3-methoxyphenyl)pyrazine-2,3-dione
CID 22520458
1-(4-chloro-3-methylphenyl)pyrrole-2,5-dione
CID 112708489
1-(3-chlorophenyl)-4-(2-methylpropyl)pyrazine-2,3-dione
CID 7286911
5-chloro-2-(4-chloro-3-methylphenyl)-4-methyl-1,2-thiazol-3-one
CID 742542
1-(3,4-dimethoxyphenyl)-4-[(3-methylphenyl)methyl]pyrazine-2,3-dione
CID 22520485
1-(4-chloro-3-methylphenyl)-4-methoxybutan-2-one
CID 165486232
2-(4-chloro-3-methylphenyl)-4-methyl-1,2-thiazol-3-one;ethane
CID 143601748
CID 176997123
CID 176997123
1-but-3-enyl-4-(4-fluorophenyl)pyrazine-2,3-dione
CID 155976892
1-[(2-chloro-6-fluorophenyl)methyl]-4-(3,5-dimethylphenyl)pyrazine-2,3-dione
CID 22520406

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methylphenyl)-4-(2-methoxyethyl)pyrazine-2,3-dione?
The IUPAC name of 1-(4-chloro-3-methylphenyl)-4-(2-methoxyethyl)pyrazine-2,3-dione (CID 172906128) is 1-(4-chloro-3-methylphenyl)-4-(2-methoxyethyl)pyrazine-2,3-dione.
What is the SMILES notation for 1-(4-chloro-3-methylphenyl)-4-(2-methoxyethyl)pyrazine-2,3-dione?
The canonical SMILES for 1-(4-chloro-3-methylphenyl)-4-(2-methoxyethyl)pyrazine-2,3-dione is COCCn1ccn(-c2ccc(Cl)c(C)c2)c(=O)c1=O.
What is the InChIKey of 1-(4-chloro-3-methylphenyl)-4-(2-methoxyethyl)pyrazine-2,3-dione?
The InChIKey is FMDNJGAUYGWSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3/c1-10-9-11(3-4-12(10)15)17-6-5-16(7-8-20-2)13(18)14(17)19/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 1-(4-chloro-3-methylphenyl)-4-(2-methoxyethyl)pyrazine-2,3-dione?
1-(4-chloro-3-methylphenyl)-4-(2-methoxyethyl)pyrazine-2,3-dione has a molecular weight of 294.74 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methylphenyl)-4-(2-methoxyethyl)pyrazine-2,3-dione is sourced from PubChem (CID 172906128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).