6-amino-7-chloroquinoxaline-2,3-dione

C8H4ClN3O2 — CID 19700090

IUPAC6-amino-7-chloroquinoxaline-2,3-dione
SMILESNc1cc2c(cc1Cl)=NC(=O)C(=O)N=2
InChIInChI=1S/C8H4ClN3O2/c9-3-1-5-6(2-4(3)10)12-8(14)7(13)11-5/h1-2H,10H2
InChIKeyBGZZAXAEPKJMSY-UHFFFAOYSA-N
MW209.59 g/mol
LogP-0.77
Rot. Bonds

About 6-amino-7-chloroquinoxaline-2,3-dione

6-amino-7-chloroquinoxaline-2,3-dione (PubChem CID 19700090) has the molecular formula C8H4ClN3O2 and a molecular weight of 209.59 g/mol. Its IUPAC name is 6-amino-7-chloroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6-amino-7-chloroquinoxaline-2,3-dione
PubChem CID19700090
Molecular FormulaC8H4ClN3O2
Molecular Weight209.59 g/mol
Exact Mass209.00
IUPAC Name6-amino-7-chloroquinoxaline-2,3-dione
SMILESNc1cc2c(cc1Cl)=NC(=O)C(=O)N=2
InChIInChI=1S/C8H4ClN3O2/c9-3-1-5-6(2-4(3)10)12-8(14)7(13)11-5/h1-2H,10H2
InChIKeyBGZZAXAEPKJMSY-UHFFFAOYSA-N
XLogP-0.77
TPSA84.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.59
LogP ≤ 5-0.77
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 6-amino-7-chloroquinoxaline-2,3-dione?
The IUPAC name of 6-amino-7-chloroquinoxaline-2,3-dione (CID 19700090) is 6-amino-7-chloroquinoxaline-2,3-dione.
What is the SMILES notation for 6-amino-7-chloroquinoxaline-2,3-dione?
The canonical SMILES for 6-amino-7-chloroquinoxaline-2,3-dione is Nc1cc2c(cc1Cl)=NC(=O)C(=O)N=2.
What is the InChIKey of 6-amino-7-chloroquinoxaline-2,3-dione?
The InChIKey is BGZZAXAEPKJMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClN3O2/c9-3-1-5-6(2-4(3)10)12-8(14)7(13)11-5/h1-2H,10H2.
What are the key properties of 6-amino-7-chloroquinoxaline-2,3-dione?
6-amino-7-chloroquinoxaline-2,3-dione has a molecular weight of 209.59 g/mol, XLogP of -0.77, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-chloroquinoxaline-2,3-dione is sourced from PubChem (CID 19700090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).