6-chloro-2-N,3-N-diethylquinoxaline-2,3-diamine

C12H15ClN4 — CID 2727962

IUPAC6-chloro-2-N,3-N-diethylquinoxaline-2,3-diamine
SMILESCCNc1nc2ccc(Cl)cc2nc1NCC
InChIInChI=1S/C12H15ClN4/c1-3-14-11-12(15-4-2)17-10-7-8(13)5-6-9(10)16-11/h5-7H,3-4H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyLYIMIPNCPHIVIA-UHFFFAOYSA-N
MW250.73 g/mol
LogP3.15
Rot. Bonds4

About 6-chloro-2-N,3-N-diethylquinoxaline-2,3-diamine

6-chloro-2-N,3-N-diethylquinoxaline-2,3-diamine (PubChem CID 2727962) has the molecular formula C12H15ClN4 and a molecular weight of 250.73 g/mol. Its IUPAC name is 6-chloro-2-N,3-N-diethylquinoxaline-2,3-diamine.

Molecular Properties

Compound Name6-chloro-2-N,3-N-diethylquinoxaline-2,3-diamine
PubChem CID2727962
Molecular FormulaC12H15ClN4
Molecular Weight250.73 g/mol
Exact Mass250.10
IUPAC Name6-chloro-2-N,3-N-diethylquinoxaline-2,3-diamine
SMILESCCNc1nc2ccc(Cl)cc2nc1NCC
InChIInChI=1S/C12H15ClN4/c1-3-14-11-12(15-4-2)17-10-7-8(13)5-6-9(10)16-11/h5-7H,3-4H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyLYIMIPNCPHIVIA-UHFFFAOYSA-N
XLogP3.15
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N,3-N-diethylquinoxaline-2,3-diamine?
The IUPAC name of 6-chloro-2-N,3-N-diethylquinoxaline-2,3-diamine (CID 2727962) is 6-chloro-2-N,3-N-diethylquinoxaline-2,3-diamine.
What is the SMILES notation for 6-chloro-2-N,3-N-diethylquinoxaline-2,3-diamine?
The canonical SMILES for 6-chloro-2-N,3-N-diethylquinoxaline-2,3-diamine is CCNc1nc2ccc(Cl)cc2nc1NCC.
What is the InChIKey of 6-chloro-2-N,3-N-diethylquinoxaline-2,3-diamine?
The InChIKey is LYIMIPNCPHIVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4/c1-3-14-11-12(15-4-2)17-10-7-8(13)5-6-9(10)16-11/h5-7H,3-4H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of 6-chloro-2-N,3-N-diethylquinoxaline-2,3-diamine?
6-chloro-2-N,3-N-diethylquinoxaline-2,3-diamine has a molecular weight of 250.73 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N,3-N-diethylquinoxaline-2,3-diamine is sourced from PubChem (CID 2727962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).