7,8-bis(2-chlorophenyl)-1,4-diethylpyrazino[2,3-g]quinoxaline-2,3-dione

C26H20Cl2N4O2 — CID 10097133

IUPAC7,8-bis(2-chlorophenyl)-1,4-diethylpyrazino[2,3-g]quinoxaline-2,3-dione
SMILESCCn1c(=O)c(=O)n(CC)c2cc3nc(-c4ccccc4Cl)c(-c4ccccc4Cl)nc3cc21
InChIInChI=1S/C26H20Cl2N4O2/c1-3-31-21-13-19-20(14-22(21)32(4-2)26(34)25(31)33)30-24(16-10-6-8-12-18(16)28)23(29-19)15-9-5-7-11-17(15)27/h5-14H,3-4H2,1-2H3
InChIKeySVSJNNDMBCWLND-UHFFFAOYSA-N
MW491.38 g/mol
LogP5.79
Rot. Bonds4

About 7,8-bis(2-chlorophenyl)-1,4-diethylpyrazino[2,3-g]quinoxaline-2,3-dione

7,8-bis(2-chlorophenyl)-1,4-diethylpyrazino[2,3-g]quinoxaline-2,3-dione (PubChem CID 10097133) has the molecular formula C26H20Cl2N4O2 and a molecular weight of 491.38 g/mol. Its IUPAC name is 7,8-bis(2-chlorophenyl)-1,4-diethylpyrazino[2,3-g]quinoxaline-2,3-dione.

Molecular Properties

Compound Name7,8-bis(2-chlorophenyl)-1,4-diethylpyrazino[2,3-g]quinoxaline-2,3-dione
PubChem CID10097133
Molecular FormulaC26H20Cl2N4O2
Molecular Weight491.38 g/mol
Exact Mass490.10
IUPAC Name7,8-bis(2-chlorophenyl)-1,4-diethylpyrazino[2,3-g]quinoxaline-2,3-dione
SMILESCCn1c(=O)c(=O)n(CC)c2cc3nc(-c4ccccc4Cl)c(-c4ccccc4Cl)nc3cc21
InChIInChI=1S/C26H20Cl2N4O2/c1-3-31-21-13-19-20(14-22(21)32(4-2)26(34)25(31)33)30-24(16-10-6-8-12-18(16)28)23(29-19)15-9-5-7-11-17(15)27/h5-14H,3-4H2,1-2H3
InChIKeySVSJNNDMBCWLND-UHFFFAOYSA-N
XLogP5.79
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.38
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

3-(2-chlorophenyl)-1-ethyl-7-(methylamino)-1,6-naphthyridin-2-one
CID 141205535
5-(2-chlorophenyl)-2,3-diethylimidazol-4-amine
CID 55049007
2-chloro-N-(1,4-diethyl-7-methyl-2,3-dioxoquinoxalin-6-yl)benzamide
CID 50793038
4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-ethyl-N,N-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide
CID 55554248
6-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-3-ethyl-1H-benzimidazol-2-one
CID 53033622
1-ethyl-3-methylquinoxalin-2-one
CID 139075519
3-(2-chlorophenyl)-4-ethyl-1-methylpyrazole
CID 123288377
6-bromo-2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-ethylquinazolin-4-one
CID 43031861
6-bromo-4-(2-chlorophenyl)-1-methylquinazolin-2-one
CID 4713933
6-(2-chlorophenyl)-1-ethyl-4-(2-ethylhydrazinyl)-1,3,5-triazin-2-one
CID 54092288
2-(2-amino-5-bromophenyl)-4-ethylbenzo[g]quinoxalin-3-one
CID 56689917
2-[[3-(2-chlorophenyl)-8-methylquinoxalin-2-yl]methyl]isoindole-1,3-dione;ethane
CID 145483294

Frequently Asked Questions

What is the IUPAC name of 7,8-bis(2-chlorophenyl)-1,4-diethylpyrazino[2,3-g]quinoxaline-2,3-dione?
The IUPAC name of 7,8-bis(2-chlorophenyl)-1,4-diethylpyrazino[2,3-g]quinoxaline-2,3-dione (CID 10097133) is 7,8-bis(2-chlorophenyl)-1,4-diethylpyrazino[2,3-g]quinoxaline-2,3-dione.
What is the SMILES notation for 7,8-bis(2-chlorophenyl)-1,4-diethylpyrazino[2,3-g]quinoxaline-2,3-dione?
The canonical SMILES for 7,8-bis(2-chlorophenyl)-1,4-diethylpyrazino[2,3-g]quinoxaline-2,3-dione is CCn1c(=O)c(=O)n(CC)c2cc3nc(-c4ccccc4Cl)c(-c4ccccc4Cl)nc3cc21.
What is the InChIKey of 7,8-bis(2-chlorophenyl)-1,4-diethylpyrazino[2,3-g]quinoxaline-2,3-dione?
The InChIKey is SVSJNNDMBCWLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20Cl2N4O2/c1-3-31-21-13-19-20(14-22(21)32(4-2)26(34)25(31)33)30-24(16-10-6-8-12-18(16)28)23(29-19)15-9-5-7-11-17(15)27/h5-14H,3-4H2,1-2H3.
What are the key properties of 7,8-bis(2-chlorophenyl)-1,4-diethylpyrazino[2,3-g]quinoxaline-2,3-dione?
7,8-bis(2-chlorophenyl)-1,4-diethylpyrazino[2,3-g]quinoxaline-2,3-dione has a molecular weight of 491.38 g/mol, XLogP of 5.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-bis(2-chlorophenyl)-1,4-diethylpyrazino[2,3-g]quinoxaline-2,3-dione is sourced from PubChem (CID 10097133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).