2-N,3-N-bis(3,5-dichlorophenyl)quinoxaline-2,3-diamine

C20H12Cl4N4 — CID 155562082

IUPAC2-N,3-N-bis(3,5-dichlorophenyl)quinoxaline-2,3-diamine
SMILESClc1cc(Cl)cc(Nc2nc3ccccc3nc2Nc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C20H12Cl4N4/c21-11-5-12(22)8-15(7-11)25-19-20(26-16-9-13(23)6-14(24)10-16)28-18-4-2-1-3-17(18)27-19/h1-10H,(H,25,27)(H,26,28)
InChIKeyVTNTXSYRNQAJSX-UHFFFAOYSA-N
MW450.16 g/mol
LogP7.73
Rot. Bonds4

About 2-N,3-N-bis(3,5-dichlorophenyl)quinoxaline-2,3-diamine

2-N,3-N-bis(3,5-dichlorophenyl)quinoxaline-2,3-diamine (PubChem CID 155562082) has the molecular formula C20H12Cl4N4 and a molecular weight of 450.16 g/mol. Its IUPAC name is 2-N,3-N-bis(3,5-dichlorophenyl)quinoxaline-2,3-diamine.

Molecular Properties

Compound Name2-N,3-N-bis(3,5-dichlorophenyl)quinoxaline-2,3-diamine
PubChem CID155562082
Molecular FormulaC20H12Cl4N4
Molecular Weight450.16 g/mol
Exact Mass447.98
IUPAC Name2-N,3-N-bis(3,5-dichlorophenyl)quinoxaline-2,3-diamine
SMILESClc1cc(Cl)cc(Nc2nc3ccccc3nc2Nc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C20H12Cl4N4/c21-11-5-12(22)8-15(7-11)25-19-20(26-16-9-13(23)6-14(24)10-16)28-18-4-2-1-3-17(18)27-19/h1-10H,(H,25,27)(H,26,28)
InChIKeyVTNTXSYRNQAJSX-UHFFFAOYSA-N
XLogP7.73
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.16
LogP ≤ 57.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N,3-N-bis(3,5-dichlorophenyl)quinoxaline-2,3-diamine?
The IUPAC name of 2-N,3-N-bis(3,5-dichlorophenyl)quinoxaline-2,3-diamine (CID 155562082) is 2-N,3-N-bis(3,5-dichlorophenyl)quinoxaline-2,3-diamine.
What is the SMILES notation for 2-N,3-N-bis(3,5-dichlorophenyl)quinoxaline-2,3-diamine?
The canonical SMILES for 2-N,3-N-bis(3,5-dichlorophenyl)quinoxaline-2,3-diamine is Clc1cc(Cl)cc(Nc2nc3ccccc3nc2Nc2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of 2-N,3-N-bis(3,5-dichlorophenyl)quinoxaline-2,3-diamine?
The InChIKey is VTNTXSYRNQAJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl4N4/c21-11-5-12(22)8-15(7-11)25-19-20(26-16-9-13(23)6-14(24)10-16)28-18-4-2-1-3-17(18)27-19/h1-10H,(H,25,27)(H,26,28).
What are the key properties of 2-N,3-N-bis(3,5-dichlorophenyl)quinoxaline-2,3-diamine?
2-N,3-N-bis(3,5-dichlorophenyl)quinoxaline-2,3-diamine has a molecular weight of 450.16 g/mol, XLogP of 7.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-N-bis(3,5-dichlorophenyl)quinoxaline-2,3-diamine is sourced from PubChem (CID 155562082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).