7-chloro-6-ethyl-5-nitro-1,4-dihydroquinoxaline-2,3-dione

C10H8ClN3O4 — CID 10707115

IUPAC7-chloro-6-ethyl-5-nitro-1,4-dihydroquinoxaline-2,3-dione
SMILESCCc1c(Cl)cc2[nH]c(=O)c(=O)[nH]c2c1[N+](=O)[O-]
InChIInChI=1S/C10H8ClN3O4/c1-2-4-5(11)3-6-7(8(4)14(17)18)13-10(16)9(15)12-6/h3H,2H2,1H3,(H,12,15)(H,13,16)
InChIKeyKXUOIKKMTQPTBE-UHFFFAOYSA-N
MW269.64 g/mol
LogP1.34
Rot. Bonds2

About 7-chloro-6-ethyl-5-nitro-1,4-dihydroquinoxaline-2,3-dione

7-chloro-6-ethyl-5-nitro-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 10707115) has the molecular formula C10H8ClN3O4 and a molecular weight of 269.64 g/mol. Its IUPAC name is 7-chloro-6-ethyl-5-nitro-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name7-chloro-6-ethyl-5-nitro-1,4-dihydroquinoxaline-2,3-dione
PubChem CID10707115
Molecular FormulaC10H8ClN3O4
Molecular Weight269.64 g/mol
Exact Mass269.02
IUPAC Name7-chloro-6-ethyl-5-nitro-1,4-dihydroquinoxaline-2,3-dione
SMILESCCc1c(Cl)cc2[nH]c(=O)c(=O)[nH]c2c1[N+](=O)[O-]
InChIInChI=1S/C10H8ClN3O4/c1-2-4-5(11)3-6-7(8(4)14(17)18)13-10(16)9(15)12-6/h3H,2H2,1H3,(H,12,15)(H,13,16)
InChIKeyKXUOIKKMTQPTBE-UHFFFAOYSA-N
XLogP1.34
TPSA108.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.64
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 7-chloro-6-ethyl-5-nitro-1,4-dihydroquinoxaline-2,3-dione with MolForge

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Related Compounds

Acea-1328
CID 9816093
Acea-1416
CID 9816526
6-Chloro-7-methyl-5-nitro-1,4-dihydro-quinoxaline-2,3-dione
CID 10106426
7-Fluoro-6-methyl-5-nitro-1,4-dihydro-quinoxaline-2,3-dione
CID 10263627
6-Chloro-7-ethyl-5-nitro-1,4-dihydroquinoxaline-2,3-dione
CID 10683434
6-Chloro-5-nitro-1,4-dihydroquinoxaline-2,3-dione
CID 4264803
6-Chloro-7-methyl-1,4-dihydro-quinoxaline-2,3-dione
CID 10512659
6-Chloro-5-nitro-7-trifluoromethyl-1,4-dihydro-2,3-quinoxalinedione
CID 10542937
5-Amino-7-chloro-6-methyl-1,4-dihydro-quinoxaline-2,3-dione
CID 10561180
5-Chloro-6-nitro-7-trifluoromethyl-1,4-dihydroquinoxaline-2,3-dione
CID 10566875
5-Nitro-6,7-diethyl-1,4-dihydroquinoxaline-2,3-dione
CID 10611559
7-Chloro-5-nitro-1,4-dihydroquinoxaline-2,3-dione
CID 12747055

Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-ethyl-5-nitro-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 7-chloro-6-ethyl-5-nitro-1,4-dihydroquinoxaline-2,3-dione (CID 10707115) is 7-chloro-6-ethyl-5-nitro-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 7-chloro-6-ethyl-5-nitro-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 7-chloro-6-ethyl-5-nitro-1,4-dihydroquinoxaline-2,3-dione is CCc1c(Cl)cc2[nH]c(=O)c(=O)[nH]c2c1[N+](=O)[O-].
What is the InChIKey of 7-chloro-6-ethyl-5-nitro-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is KXUOIKKMTQPTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O4/c1-2-4-5(11)3-6-7(8(4)14(17)18)13-10(16)9(15)12-6/h3H,2H2,1H3,(H,12,15)(H,13,16).
What are the key properties of 7-chloro-6-ethyl-5-nitro-1,4-dihydroquinoxaline-2,3-dione?
7-chloro-6-ethyl-5-nitro-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 269.64 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-ethyl-5-nitro-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 10707115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).