6-nitro-2-N,3-N-diphenylquinoxaline-2,3-diamine

C20H15N5O2 — CID 3793309

IUPAC6-nitro-2-N,3-N-diphenylquinoxaline-2,3-diamine
SMILESO=[N+]([O-])c1ccc2nc(Nc3ccccc3)c(Nc3ccccc3)nc2c1
InChIInChI=1S/C20H15N5O2/c26-25(27)16-11-12-17-18(13-16)24-20(22-15-9-5-2-6-10-15)19(23-17)21-14-7-3-1-4-8-14/h1-13H,(H,21,23)(H,22,24)
InChIKeyRPNCMLPRXMCLPW-UHFFFAOYSA-N
MW357.37 g/mol
LogP5.03
Rot. Bonds5

About 6-nitro-2-N,3-N-diphenylquinoxaline-2,3-diamine

6-nitro-2-N,3-N-diphenylquinoxaline-2,3-diamine (PubChem CID 3793309) has the molecular formula C20H15N5O2 and a molecular weight of 357.37 g/mol. Its IUPAC name is 6-nitro-2-N,3-N-diphenylquinoxaline-2,3-diamine.

Molecular Properties

Compound Name6-nitro-2-N,3-N-diphenylquinoxaline-2,3-diamine
PubChem CID3793309
Molecular FormulaC20H15N5O2
Molecular Weight357.37 g/mol
Exact Mass357.12
IUPAC Name6-nitro-2-N,3-N-diphenylquinoxaline-2,3-diamine
SMILESO=[N+]([O-])c1ccc2nc(Nc3ccccc3)c(Nc3ccccc3)nc2c1
InChIInChI=1S/C20H15N5O2/c26-25(27)16-11-12-17-18(13-16)24-20(22-15-9-5-2-6-10-15)19(23-17)21-14-7-3-1-4-8-14/h1-13H,(H,21,23)(H,22,24)
InChIKeyRPNCMLPRXMCLPW-UHFFFAOYSA-N
XLogP5.03
TPSA92.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.37
LogP ≤ 55.03
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 6-nitro-2-N,3-N-diphenylquinoxaline-2,3-diamine?
The IUPAC name of 6-nitro-2-N,3-N-diphenylquinoxaline-2,3-diamine (CID 3793309) is 6-nitro-2-N,3-N-diphenylquinoxaline-2,3-diamine.
What is the SMILES notation for 6-nitro-2-N,3-N-diphenylquinoxaline-2,3-diamine?
The canonical SMILES for 6-nitro-2-N,3-N-diphenylquinoxaline-2,3-diamine is O=[N+]([O-])c1ccc2nc(Nc3ccccc3)c(Nc3ccccc3)nc2c1.
What is the InChIKey of 6-nitro-2-N,3-N-diphenylquinoxaline-2,3-diamine?
The InChIKey is RPNCMLPRXMCLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O2/c26-25(27)16-11-12-17-18(13-16)24-20(22-15-9-5-2-6-10-15)19(23-17)21-14-7-3-1-4-8-14/h1-13H,(H,21,23)(H,22,24).
What are the key properties of 6-nitro-2-N,3-N-diphenylquinoxaline-2,3-diamine?
6-nitro-2-N,3-N-diphenylquinoxaline-2,3-diamine has a molecular weight of 357.37 g/mol, XLogP of 5.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-2-N,3-N-diphenylquinoxaline-2,3-diamine is sourced from PubChem (CID 3793309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).