5,6-bis(3-chlorophenyl)-1,4-dihydropyrazine-2,3-dione

C16H10Cl2N2O2 — CID 132588453

IUPAC5,6-bis(3-chlorophenyl)-1,4-dihydropyrazine-2,3-dione
SMILESO=c1[nH]c(-c2cccc(Cl)c2)c(-c2cccc(Cl)c2)[nH]c1=O
InChIInChI=1S/C16H10Cl2N2O2/c17-11-5-1-3-9(7-11)13-14(20-16(22)15(21)19-13)10-4-2-6-12(18)8-10/h1-8H,(H,19,21)(H,20,22)
InChIKeyAMSJQEVTQFFUAW-UHFFFAOYSA-N
MW333.17 g/mol
LogP3.70
Rot. Bonds2

About 5,6-bis(3-chlorophenyl)-1,4-dihydropyrazine-2,3-dione

5,6-bis(3-chlorophenyl)-1,4-dihydropyrazine-2,3-dione (PubChem CID 132588453) has the molecular formula C16H10Cl2N2O2 and a molecular weight of 333.17 g/mol. Its IUPAC name is 5,6-bis(3-chlorophenyl)-1,4-dihydropyrazine-2,3-dione.

Molecular Properties

Compound Name5,6-bis(3-chlorophenyl)-1,4-dihydropyrazine-2,3-dione
PubChem CID132588453
Molecular FormulaC16H10Cl2N2O2
Molecular Weight333.17 g/mol
Exact Mass332.01
IUPAC Name5,6-bis(3-chlorophenyl)-1,4-dihydropyrazine-2,3-dione
SMILESO=c1[nH]c(-c2cccc(Cl)c2)c(-c2cccc(Cl)c2)[nH]c1=O
InChIInChI=1S/C16H10Cl2N2O2/c17-11-5-1-3-9(7-11)13-14(20-16(22)15(21)19-13)10-4-2-6-12(18)8-10/h1-8H,(H,19,21)(H,20,22)
InChIKeyAMSJQEVTQFFUAW-UHFFFAOYSA-N
XLogP3.70
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.17
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-chlorophenyl)-5-oxo-1,2-dihydropyrazole-4-carboxylic acid
CID 84700819
3-amino-6-(3-chlorophenyl)-1H-pyridin-2-one
CID 105476832
6-(3-chlorophenyl)-5-fluoro-1H-pyrimidin-2-one
CID 106515590
3-chloro-2-(3-chlorophenyl)-1H-pyrrole
CID 175142678
4-(2-aminoethyl)-5-(3-chlorophenyl)-1,2-dihydropyrazol-3-one
CID 4715329
3-(3-chlorophenyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 135957060
3-(3-chlorophenyl)-1H-quinolin-2-one
CID 152763617
6-(3-chlorophenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 166272958
5-(3-chlorophenyl)-2-methyl-1H-pyrimidin-6-one
CID 117260709
2-(3-chlorophenyl)-1H-pyridin-4-one
CID 53229265
5-amino-3-(3-chlorophenyl)-2H-isoquinolin-1-one;hydrobromide
CID 90203147
5-(3-chlorophenyl)-4-hydroxy-2-phenyl-1H-pyrimidin-6-one
CID 79431425

Frequently Asked Questions

What is the IUPAC name of 5,6-bis(3-chlorophenyl)-1,4-dihydropyrazine-2,3-dione?
The IUPAC name of 5,6-bis(3-chlorophenyl)-1,4-dihydropyrazine-2,3-dione (CID 132588453) is 5,6-bis(3-chlorophenyl)-1,4-dihydropyrazine-2,3-dione.
What is the SMILES notation for 5,6-bis(3-chlorophenyl)-1,4-dihydropyrazine-2,3-dione?
The canonical SMILES for 5,6-bis(3-chlorophenyl)-1,4-dihydropyrazine-2,3-dione is O=c1[nH]c(-c2cccc(Cl)c2)c(-c2cccc(Cl)c2)[nH]c1=O.
What is the InChIKey of 5,6-bis(3-chlorophenyl)-1,4-dihydropyrazine-2,3-dione?
The InChIKey is AMSJQEVTQFFUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N2O2/c17-11-5-1-3-9(7-11)13-14(20-16(22)15(21)19-13)10-4-2-6-12(18)8-10/h1-8H,(H,19,21)(H,20,22).
What are the key properties of 5,6-bis(3-chlorophenyl)-1,4-dihydropyrazine-2,3-dione?
5,6-bis(3-chlorophenyl)-1,4-dihydropyrazine-2,3-dione has a molecular weight of 333.17 g/mol, XLogP of 3.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(3-chlorophenyl)-1,4-dihydropyrazine-2,3-dione is sourced from PubChem (CID 132588453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).