8-amino-6-chloro-5-methylquinoxaline-2,3-dione

C9H6ClN3O2 — CID 19422394

IUPAC8-amino-6-chloro-5-methylquinoxaline-2,3-dione
SMILESCc1c(Cl)cc(N)c2c1=NC(=O)C(=O)N=2
InChIInChI=1S/C9H6ClN3O2/c1-3-4(10)2-5(11)7-6(3)12-8(14)9(15)13-7/h2H,11H2,1H3
InChIKeyOOQMKSHDBGZLPE-UHFFFAOYSA-N
MW223.62 g/mol
LogP-0.46
Rot. Bonds

About 8-amino-6-chloro-5-methylquinoxaline-2,3-dione

8-amino-6-chloro-5-methylquinoxaline-2,3-dione (PubChem CID 19422394) has the molecular formula C9H6ClN3O2 and a molecular weight of 223.62 g/mol. Its IUPAC name is 8-amino-6-chloro-5-methylquinoxaline-2,3-dione.

Molecular Properties

Compound Name8-amino-6-chloro-5-methylquinoxaline-2,3-dione
PubChem CID19422394
Molecular FormulaC9H6ClN3O2
Molecular Weight223.62 g/mol
Exact Mass223.01
IUPAC Name8-amino-6-chloro-5-methylquinoxaline-2,3-dione
SMILESCc1c(Cl)cc(N)c2c1=NC(=O)C(=O)N=2
InChIInChI=1S/C9H6ClN3O2/c1-3-4(10)2-5(11)7-6(3)12-8(14)9(15)13-7/h2H,11H2,1H3
InChIKeyOOQMKSHDBGZLPE-UHFFFAOYSA-N
XLogP-0.46
TPSA84.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.62
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-amino-6-chloro-5-methylquinoxaline-2,3-dione?
The IUPAC name of 8-amino-6-chloro-5-methylquinoxaline-2,3-dione (CID 19422394) is 8-amino-6-chloro-5-methylquinoxaline-2,3-dione.
What is the SMILES notation for 8-amino-6-chloro-5-methylquinoxaline-2,3-dione?
The canonical SMILES for 8-amino-6-chloro-5-methylquinoxaline-2,3-dione is Cc1c(Cl)cc(N)c2c1=NC(=O)C(=O)N=2.
What is the InChIKey of 8-amino-6-chloro-5-methylquinoxaline-2,3-dione?
The InChIKey is OOQMKSHDBGZLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClN3O2/c1-3-4(10)2-5(11)7-6(3)12-8(14)9(15)13-7/h2H,11H2,1H3.
What are the key properties of 8-amino-6-chloro-5-methylquinoxaline-2,3-dione?
8-amino-6-chloro-5-methylquinoxaline-2,3-dione has a molecular weight of 223.62 g/mol, XLogP of -0.46, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-6-chloro-5-methylquinoxaline-2,3-dione is sourced from PubChem (CID 19422394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).