3-benzyl-N-[(E)-1-phenylethylideneamino]quinoxalin-2-amine

C23H20N4 — CID 52946538

IUPAC3-benzyl-N-[(E)-1-phenylethylideneamino]quinoxalin-2-amine
SMILESC/C(=N\Nc1nc2ccccc2nc1Cc1ccccc1)c1ccccc1
InChIInChI=1S/C23H20N4/c1-17(19-12-6-3-7-13-19)26-27-23-22(16-18-10-4-2-5-11-18)24-20-14-8-9-15-21(20)25-23/h2-15H,16H2,1H3,(H,25,27)/b26-17+
InChIKeyXCVJGMBBWXMECP-YZSQISJMSA-N
MW352.44 g/mol
LogP5.06
Rot. Bonds5

About 3-benzyl-N-[(E)-1-phenylethylideneamino]quinoxalin-2-amine

3-benzyl-N-[(E)-1-phenylethylideneamino]quinoxalin-2-amine (PubChem CID 52946538) has the molecular formula C23H20N4 and a molecular weight of 352.44 g/mol. Its IUPAC name is 3-benzyl-N-[(E)-1-phenylethylideneamino]quinoxalin-2-amine.

Molecular Properties

Compound Name3-benzyl-N-[(E)-1-phenylethylideneamino]quinoxalin-2-amine
PubChem CID52946538
Molecular FormulaC23H20N4
Molecular Weight352.44 g/mol
Exact Mass352.17
IUPAC Name3-benzyl-N-[(E)-1-phenylethylideneamino]quinoxalin-2-amine
SMILESC/C(=N\Nc1nc2ccccc2nc1Cc1ccccc1)c1ccccc1
InChIInChI=1S/C23H20N4/c1-17(19-12-6-3-7-13-19)26-27-23-22(16-18-10-4-2-5-11-18)24-20-14-8-9-15-21(20)25-23/h2-15H,16H2,1H3,(H,25,27)/b26-17+
InChIKeyXCVJGMBBWXMECP-YZSQISJMSA-N
XLogP5.06
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.44
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 3-benzyl-N-[(E)-1-phenylethylideneamino]quinoxalin-2-amine?
The IUPAC name of 3-benzyl-N-[(E)-1-phenylethylideneamino]quinoxalin-2-amine (CID 52946538) is 3-benzyl-N-[(E)-1-phenylethylideneamino]quinoxalin-2-amine.
What is the SMILES notation for 3-benzyl-N-[(E)-1-phenylethylideneamino]quinoxalin-2-amine?
The canonical SMILES for 3-benzyl-N-[(E)-1-phenylethylideneamino]quinoxalin-2-amine is C/C(=N\Nc1nc2ccccc2nc1Cc1ccccc1)c1ccccc1.
What is the InChIKey of 3-benzyl-N-[(E)-1-phenylethylideneamino]quinoxalin-2-amine?
The InChIKey is XCVJGMBBWXMECP-YZSQISJMSA-N. The full InChI is InChI=1S/C23H20N4/c1-17(19-12-6-3-7-13-19)26-27-23-22(16-18-10-4-2-5-11-18)24-20-14-8-9-15-21(20)25-23/h2-15H,16H2,1H3,(H,25,27)/b26-17+.
What are the key properties of 3-benzyl-N-[(E)-1-phenylethylideneamino]quinoxalin-2-amine?
3-benzyl-N-[(E)-1-phenylethylideneamino]quinoxalin-2-amine has a molecular weight of 352.44 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N-[(E)-1-phenylethylideneamino]quinoxalin-2-amine is sourced from PubChem (CID 52946538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).