6,7-dichloro-N-ethylquinoxalin-2-amine

C10H9Cl2N3 — CID 133462663

IUPAC6,7-dichloro-N-ethylquinoxalin-2-amine
SMILESCCNc1cnc2cc(Cl)c(Cl)cc2n1
InChIInChI=1S/C10H9Cl2N3/c1-2-13-10-5-14-8-3-6(11)7(12)4-9(8)15-10/h3-5H,2H2,1H3,(H,13,15)
InChIKeyJXNDAEZISMTKBJ-UHFFFAOYSA-N
MW242.11 g/mol
LogP3.37
Rot. Bonds2

About 6,7-dichloro-N-ethylquinoxalin-2-amine

6,7-dichloro-N-ethylquinoxalin-2-amine (PubChem CID 133462663) has the molecular formula C10H9Cl2N3 and a molecular weight of 242.11 g/mol. Its IUPAC name is 6,7-dichloro-N-ethylquinoxalin-2-amine.

Molecular Properties

Compound Name6,7-dichloro-N-ethylquinoxalin-2-amine
PubChem CID133462663
Molecular FormulaC10H9Cl2N3
Molecular Weight242.11 g/mol
Exact Mass241.02
IUPAC Name6,7-dichloro-N-ethylquinoxalin-2-amine
SMILESCCNc1cnc2cc(Cl)c(Cl)cc2n1
InChIInChI=1S/C10H9Cl2N3/c1-2-13-10-5-14-8-3-6(11)7(12)4-9(8)15-10/h3-5H,2H2,1H3,(H,13,15)
InChIKeyJXNDAEZISMTKBJ-UHFFFAOYSA-N
XLogP3.37
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.11
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-N-ethylquinoxalin-2-amine?
The IUPAC name of 6,7-dichloro-N-ethylquinoxalin-2-amine (CID 133462663) is 6,7-dichloro-N-ethylquinoxalin-2-amine.
What is the SMILES notation for 6,7-dichloro-N-ethylquinoxalin-2-amine?
The canonical SMILES for 6,7-dichloro-N-ethylquinoxalin-2-amine is CCNc1cnc2cc(Cl)c(Cl)cc2n1.
What is the InChIKey of 6,7-dichloro-N-ethylquinoxalin-2-amine?
The InChIKey is JXNDAEZISMTKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N3/c1-2-13-10-5-14-8-3-6(11)7(12)4-9(8)15-10/h3-5H,2H2,1H3,(H,13,15).
What are the key properties of 6,7-dichloro-N-ethylquinoxalin-2-amine?
6,7-dichloro-N-ethylquinoxalin-2-amine has a molecular weight of 242.11 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-N-ethylquinoxalin-2-amine is sourced from PubChem (CID 133462663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).