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

C9H6ClN3O4 — CID 10106426

IUPAC6-chloro-7-methyl-5-nitro-1,4-dihydroquinoxaline-2,3-dione
SMILESCc1cc2[nH]c(=O)c(=O)[nH]c2c([N+](=O)[O-])c1Cl
InChIInChI=1S/C9H6ClN3O4/c1-3-2-4-6(7(5(3)10)13(16)17)12-9(15)8(14)11-4/h2H,1H3,(H,11,14)(H,12,15)
InChIKeyZCBQDFMPTQFPEB-UHFFFAOYSA-N
MW255.62 g/mol
LogP1.09
Rot. Bonds1

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

6-chloro-7-methyl-5-nitro-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 10106426) has the molecular formula C9H6ClN3O4 and a molecular weight of 255.62 g/mol. Its IUPAC name is 6-chloro-7-methyl-5-nitro-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6-chloro-7-methyl-5-nitro-1,4-dihydroquinoxaline-2,3-dione
PubChem CID10106426
Molecular FormulaC9H6ClN3O4
Molecular Weight255.62 g/mol
Exact Mass255.00
IUPAC Name6-chloro-7-methyl-5-nitro-1,4-dihydroquinoxaline-2,3-dione
SMILESCc1cc2[nH]c(=O)c(=O)[nH]c2c([N+](=O)[O-])c1Cl
InChIInChI=1S/C9H6ClN3O4/c1-3-2-4-6(7(5(3)10)13(16)17)12-9(15)8(14)11-4/h2H,1H3,(H,11,14)(H,12,15)
InChIKeyZCBQDFMPTQFPEB-UHFFFAOYSA-N
XLogP1.09
TPSA108.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.62
LogP ≤ 51.09
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-7-methyl-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

Acea-1416
CID 9816526
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
5,6-Dinitro-7-chloro-1,4-dihydro-2,3-quinoxalinedione
CID 10493484
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
6-Chloro-7-nitro-quinoxaline-2,3-diol
CID 10610150
7-Chloro-6-ethyl-5-nitro-1,4-dihydro-quinoxaline-2,3-dione
CID 10707115
7-Chloro-5-nitro-1,4-dihydroquinoxaline-2,3-dione
CID 12747055
5-Nitro-7-trifluoromethyl-1,4-dihydro-2,3-quinoxalinedione
CID 21189964

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-methyl-5-nitro-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 6-chloro-7-methyl-5-nitro-1,4-dihydroquinoxaline-2,3-dione (CID 10106426) is 6-chloro-7-methyl-5-nitro-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 6-chloro-7-methyl-5-nitro-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 6-chloro-7-methyl-5-nitro-1,4-dihydroquinoxaline-2,3-dione is Cc1cc2[nH]c(=O)c(=O)[nH]c2c([N+](=O)[O-])c1Cl.
What is the InChIKey of 6-chloro-7-methyl-5-nitro-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is ZCBQDFMPTQFPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClN3O4/c1-3-2-4-6(7(5(3)10)13(16)17)12-9(15)8(14)11-4/h2H,1H3,(H,11,14)(H,12,15).
What are the key properties of 6-chloro-7-methyl-5-nitro-1,4-dihydroquinoxaline-2,3-dione?
6-chloro-7-methyl-5-nitro-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 255.62 g/mol, XLogP of 1.09, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-methyl-5-nitro-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 10106426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).