6-chloro-7-methylquinoxaline-2,3-dione

C9H5ClN2O2 — CID 85167077

IUPAC6-chloro-7-methylquinoxaline-2,3-dione
SMILESCc1cc2c(cc1Cl)=NC(=O)C(=O)N=2
InChIInChI=1S/C9H5ClN2O2/c1-4-2-6-7(3-5(4)10)12-9(14)8(13)11-6/h2-3H,1H3
InChIKeyUBARNCBLAPGYRJ-UHFFFAOYSA-N
MW208.60 g/mol
LogP-0.05
Rot. Bonds

About 6-chloro-7-methylquinoxaline-2,3-dione

6-chloro-7-methylquinoxaline-2,3-dione (PubChem CID 85167077) has the molecular formula C9H5ClN2O2 and a molecular weight of 208.60 g/mol. Its IUPAC name is 6-chloro-7-methylquinoxaline-2,3-dione.

Molecular Properties

Compound Name6-chloro-7-methylquinoxaline-2,3-dione
PubChem CID85167077
Molecular FormulaC9H5ClN2O2
Molecular Weight208.60 g/mol
Exact Mass208.00
IUPAC Name6-chloro-7-methylquinoxaline-2,3-dione
SMILESCc1cc2c(cc1Cl)=NC(=O)C(=O)N=2
InChIInChI=1S/C9H5ClN2O2/c1-4-2-6-7(3-5(4)10)12-9(14)8(13)11-6/h2-3H,1H3
InChIKeyUBARNCBLAPGYRJ-UHFFFAOYSA-N
XLogP-0.05
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.60
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 22619826
CID 22619826
Quinoxalinedione
CID 11469229
5-Fluoro-8-methyl quinoxaline-2,3-dione
CID 129884348
Quinoxa-line-2,3-dione hydrochloride
CID 22073418
6-Chloroquinoxaline-2,3-dione
CID 70258835
5-Chloro-7-(trifluoromethyl)quinoxaline-2,3-dione
CID 53795881
7-Chloro-5-(trifluoromethyl)quinoxaline-2,3-dione
CID 54230131
Benzo[g]quinoxalinedione
CID 85280093
6,7-Dimethylquinoxaline-2,3-dione
CID 17861185
7-Chloro-5-iodoquinoxaline-2,3-dione
CID 18706509
6-Methylquinoxaline-2,3-dione
CID 19073526
5-Chloro-8-methylquinoxaline-2,3-dione
CID 21189966

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-methylquinoxaline-2,3-dione?
The IUPAC name of 6-chloro-7-methylquinoxaline-2,3-dione (CID 85167077) is 6-chloro-7-methylquinoxaline-2,3-dione.
What is the SMILES notation for 6-chloro-7-methylquinoxaline-2,3-dione?
The canonical SMILES for 6-chloro-7-methylquinoxaline-2,3-dione is Cc1cc2c(cc1Cl)=NC(=O)C(=O)N=2.
What is the InChIKey of 6-chloro-7-methylquinoxaline-2,3-dione?
The InChIKey is UBARNCBLAPGYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClN2O2/c1-4-2-6-7(3-5(4)10)12-9(14)8(13)11-6/h2-3H,1H3.
What are the key properties of 6-chloro-7-methylquinoxaline-2,3-dione?
6-chloro-7-methylquinoxaline-2,3-dione has a molecular weight of 208.60 g/mol, XLogP of -0.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-methylquinoxaline-2,3-dione is sourced from PubChem (CID 85167077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).