2-N,3-N-bis(3,4-dichlorophenyl)-6-nitroquinoxaline-2,3-diamine

C20H11Cl4N5O2 — CID 3113551

IUPAC2-N,3-N-bis(3,4-dichlorophenyl)-6-nitroquinoxaline-2,3-diamine
SMILESO=[N+]([O-])c1ccc2nc(Nc3ccc(Cl)c(Cl)c3)c(Nc3ccc(Cl)c(Cl)c3)nc2c1
InChIInChI=1S/C20H11Cl4N5O2/c21-13-4-1-10(7-15(13)23)25-19-20(26-11-2-5-14(22)16(24)8-11)28-18-9-12(29(30)31)3-6-17(18)27-19/h1-9H,(H,25,27)(H,26,28)
InChIKeyCAQUVGYCWDIOHP-UHFFFAOYSA-N
MW495.15 g/mol
LogP7.64
Rot. Bonds5

About 2-N,3-N-bis(3,4-dichlorophenyl)-6-nitroquinoxaline-2,3-diamine

2-N,3-N-bis(3,4-dichlorophenyl)-6-nitroquinoxaline-2,3-diamine (PubChem CID 3113551) has the molecular formula C20H11Cl4N5O2 and a molecular weight of 495.15 g/mol. Its IUPAC name is 2-N,3-N-bis(3,4-dichlorophenyl)-6-nitroquinoxaline-2,3-diamine.

Molecular Properties

Compound Name2-N,3-N-bis(3,4-dichlorophenyl)-6-nitroquinoxaline-2,3-diamine
PubChem CID3113551
Molecular FormulaC20H11Cl4N5O2
Molecular Weight495.15 g/mol
Exact Mass492.97
IUPAC Name2-N,3-N-bis(3,4-dichlorophenyl)-6-nitroquinoxaline-2,3-diamine
SMILESO=[N+]([O-])c1ccc2nc(Nc3ccc(Cl)c(Cl)c3)c(Nc3ccc(Cl)c(Cl)c3)nc2c1
InChIInChI=1S/C20H11Cl4N5O2/c21-13-4-1-10(7-15(13)23)25-19-20(26-11-2-5-14(22)16(24)8-11)28-18-9-12(29(30)31)3-6-17(18)27-19/h1-9H,(H,25,27)(H,26,28)
InChIKeyCAQUVGYCWDIOHP-UHFFFAOYSA-N
XLogP7.64
TPSA92.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.15
LogP ≤ 57.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N,3-N-bis(3,4-dichlorophenyl)-6-nitroquinoxaline-2,3-diamine?
The IUPAC name of 2-N,3-N-bis(3,4-dichlorophenyl)-6-nitroquinoxaline-2,3-diamine (CID 3113551) is 2-N,3-N-bis(3,4-dichlorophenyl)-6-nitroquinoxaline-2,3-diamine.
What is the SMILES notation for 2-N,3-N-bis(3,4-dichlorophenyl)-6-nitroquinoxaline-2,3-diamine?
The canonical SMILES for 2-N,3-N-bis(3,4-dichlorophenyl)-6-nitroquinoxaline-2,3-diamine is O=[N+]([O-])c1ccc2nc(Nc3ccc(Cl)c(Cl)c3)c(Nc3ccc(Cl)c(Cl)c3)nc2c1.
What is the InChIKey of 2-N,3-N-bis(3,4-dichlorophenyl)-6-nitroquinoxaline-2,3-diamine?
The InChIKey is CAQUVGYCWDIOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11Cl4N5O2/c21-13-4-1-10(7-15(13)23)25-19-20(26-11-2-5-14(22)16(24)8-11)28-18-9-12(29(30)31)3-6-17(18)27-19/h1-9H,(H,25,27)(H,26,28).
What are the key properties of 2-N,3-N-bis(3,4-dichlorophenyl)-6-nitroquinoxaline-2,3-diamine?
2-N,3-N-bis(3,4-dichlorophenyl)-6-nitroquinoxaline-2,3-diamine has a molecular weight of 495.15 g/mol, XLogP of 7.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-N-bis(3,4-dichlorophenyl)-6-nitroquinoxaline-2,3-diamine is sourced from PubChem (CID 3113551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).