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

C8H4ClN3O4 — CID 4264803

IUPAC6-chloro-5-nitro-1,4-dihydroquinoxaline-2,3-dione
SMILESO=c1[nH]c2ccc(Cl)c([N+](=O)[O-])c2[nH]c1=O
InChIInChI=1S/C8H4ClN3O4/c9-3-1-2-4-5(6(3)12(15)16)11-8(14)7(13)10-4/h1-2H,(H,10,13)(H,11,14)
InChIKeyCBOGQYULZQIEKT-UHFFFAOYSA-N
MW241.59 g/mol
LogP0.78
Rot. Bonds1

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

6-chloro-5-nitro-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 4264803) has the molecular formula C8H4ClN3O4 and a molecular weight of 241.59 g/mol. Its IUPAC name is 6-chloro-5-nitro-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6-chloro-5-nitro-1,4-dihydroquinoxaline-2,3-dione
PubChem CID4264803
Molecular FormulaC8H4ClN3O4
Molecular Weight241.59 g/mol
Exact Mass240.99
IUPAC Name6-chloro-5-nitro-1,4-dihydroquinoxaline-2,3-dione
SMILESO=c1[nH]c2ccc(Cl)c([N+](=O)[O-])c2[nH]c1=O
InChIInChI=1S/C8H4ClN3O4/c9-3-1-2-4-5(6(3)12(15)16)11-8(14)7(13)10-4/h1-2H,(H,10,13)(H,11,14)
InChIKeyCBOGQYULZQIEKT-UHFFFAOYSA-N
XLogP0.78
TPSA108.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.59
LogP ≤ 50.78
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 6-chloro-5-nitro-1,4-dihydroquinoxaline-2,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Chloro-1,4-dihydro-2,3-quinoxalinedione
CID 81143
Licostinel
CID 5486198
Dnqx
CID 3899541
6-Nitro-1,2,3,4-tetrahydroquinoxaline-2,3-dione
CID 4038142
Acea-1416
CID 9816526
6-Chloro-7-methyl-5-nitro-1,4-dihydro-quinoxaline-2,3-dione
CID 10106426
6-Chloro-7-ethyl-5-nitro-1,4-dihydroquinoxaline-2,3-dione
CID 10683434
2-(4-acetylpiperazin-1-yl)-N-(2-chloro-5-nitrophenyl)acetamide
CID 2088142
7-Chloro-6-fluoro-5-nitro-1,4-dihydroquinoxaline-2,3-dione
CID 9992729
6-Bromo-7-chloro-5-nitro-1,4-dihydro-2,3-quinoxalinedione
CID 10403751
7-Bromo-6-chloro-5-nitro-1,4-dihydro-2,3-quinoxalinedione
CID 10471268
5,6-Dinitro-7-chloro-1,4-dihydro-2,3-quinoxalinedione
CID 10493484

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-nitro-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 6-chloro-5-nitro-1,4-dihydroquinoxaline-2,3-dione (CID 4264803) is 6-chloro-5-nitro-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 6-chloro-5-nitro-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 6-chloro-5-nitro-1,4-dihydroquinoxaline-2,3-dione is O=c1[nH]c2ccc(Cl)c([N+](=O)[O-])c2[nH]c1=O.
What is the InChIKey of 6-chloro-5-nitro-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is CBOGQYULZQIEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClN3O4/c9-3-1-2-4-5(6(3)12(15)16)11-8(14)7(13)10-4/h1-2H,(H,10,13)(H,11,14).
What are the key properties of 6-chloro-5-nitro-1,4-dihydroquinoxaline-2,3-dione?
6-chloro-5-nitro-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 241.59 g/mol, XLogP of 0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-nitro-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 4264803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).