6-chloro-2-N,3-N-bis(4-chlorophenyl)quinoxaline-2,3-diamine

C20H13Cl3N4 — CID 44531684

IUPAC6-chloro-2-N,3-N-bis(4-chlorophenyl)quinoxaline-2,3-diamine
SMILESClc1ccc(Nc2nc3ccc(Cl)cc3nc2Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H13Cl3N4/c21-12-1-6-15(7-2-12)24-19-20(25-16-8-3-13(22)4-9-16)27-18-11-14(23)5-10-17(18)26-19/h1-11H,(H,24,26)(H,25,27)
InChIKeyASMALFZIYJONMH-UHFFFAOYSA-N
MW415.71 g/mol
LogP7.08
Rot. Bonds4

About 6-chloro-2-N,3-N-bis(4-chlorophenyl)quinoxaline-2,3-diamine

6-chloro-2-N,3-N-bis(4-chlorophenyl)quinoxaline-2,3-diamine (PubChem CID 44531684) has the molecular formula C20H13Cl3N4 and a molecular weight of 415.71 g/mol. Its IUPAC name is 6-chloro-2-N,3-N-bis(4-chlorophenyl)quinoxaline-2,3-diamine.

Molecular Properties

Compound Name6-chloro-2-N,3-N-bis(4-chlorophenyl)quinoxaline-2,3-diamine
PubChem CID44531684
Molecular FormulaC20H13Cl3N4
Molecular Weight415.71 g/mol
Exact Mass414.02
IUPAC Name6-chloro-2-N,3-N-bis(4-chlorophenyl)quinoxaline-2,3-diamine
SMILESClc1ccc(Nc2nc3ccc(Cl)cc3nc2Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H13Cl3N4/c21-12-1-6-15(7-2-12)24-19-20(25-16-8-3-13(22)4-9-16)27-18-11-14(23)5-10-17(18)26-19/h1-11H,(H,24,26)(H,25,27)
InChIKeyASMALFZIYJONMH-UHFFFAOYSA-N
XLogP7.08
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.71
LogP ≤ 57.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-chloro-2-N,3-N-bis(4-chlorophenyl)quinoxaline-2,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N,3-N-bis(4-chlorophenyl)quinoxaline-2,3-diamine?
The IUPAC name of 6-chloro-2-N,3-N-bis(4-chlorophenyl)quinoxaline-2,3-diamine (CID 44531684) is 6-chloro-2-N,3-N-bis(4-chlorophenyl)quinoxaline-2,3-diamine.
What is the SMILES notation for 6-chloro-2-N,3-N-bis(4-chlorophenyl)quinoxaline-2,3-diamine?
The canonical SMILES for 6-chloro-2-N,3-N-bis(4-chlorophenyl)quinoxaline-2,3-diamine is Clc1ccc(Nc2nc3ccc(Cl)cc3nc2Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of 6-chloro-2-N,3-N-bis(4-chlorophenyl)quinoxaline-2,3-diamine?
The InChIKey is ASMALFZIYJONMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl3N4/c21-12-1-6-15(7-2-12)24-19-20(25-16-8-3-13(22)4-9-16)27-18-11-14(23)5-10-17(18)26-19/h1-11H,(H,24,26)(H,25,27).
What are the key properties of 6-chloro-2-N,3-N-bis(4-chlorophenyl)quinoxaline-2,3-diamine?
6-chloro-2-N,3-N-bis(4-chlorophenyl)quinoxaline-2,3-diamine has a molecular weight of 415.71 g/mol, XLogP of 7.08, 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-bis(4-chlorophenyl)quinoxaline-2,3-diamine is sourced from PubChem (CID 44531684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).