3-benzyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]quinoxalin-2-amine

C24H22N4 — CID 52940986

IUPAC3-benzyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]quinoxalin-2-amine
SMILESC/C(=N\Nc1nc2ccccc2nc1Cc1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C24H22N4/c1-17-12-14-20(15-13-17)18(2)27-28-24-23(16-19-8-4-3-5-9-19)25-21-10-6-7-11-22(21)26-24/h3-15H,16H2,1-2H3,(H,26,28)/b27-18+
InChIKeyZHVNOGFDUXXTAY-OVVQPSECSA-N
MW366.47 g/mol
LogP5.37
Rot. Bonds5

About 3-benzyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]quinoxalin-2-amine

3-benzyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]quinoxalin-2-amine (PubChem CID 52940986) has the molecular formula C24H22N4 and a molecular weight of 366.47 g/mol. Its IUPAC name is 3-benzyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]quinoxalin-2-amine.

Molecular Properties

Compound Name3-benzyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]quinoxalin-2-amine
PubChem CID52940986
Molecular FormulaC24H22N4
Molecular Weight366.47 g/mol
Exact Mass366.18
IUPAC Name3-benzyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]quinoxalin-2-amine
SMILESC/C(=N\Nc1nc2ccccc2nc1Cc1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C24H22N4/c1-17-12-14-20(15-13-17)18(2)27-28-24-23(16-19-8-4-3-5-9-19)25-21-10-6-7-11-22(21)26-24/h3-15H,16H2,1-2H3,(H,26,28)/b27-18+
InChIKeyZHVNOGFDUXXTAY-OVVQPSECSA-N
XLogP5.37
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.47
LogP ≤ 55.37
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-(4-methylphenyl)ethylideneamino]quinoxalin-2-amine?
The IUPAC name of 3-benzyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]quinoxalin-2-amine (CID 52940986) is 3-benzyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]quinoxalin-2-amine.
What is the SMILES notation for 3-benzyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]quinoxalin-2-amine?
The canonical SMILES for 3-benzyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]quinoxalin-2-amine is C/C(=N\Nc1nc2ccccc2nc1Cc1ccccc1)c1ccc(C)cc1.
What is the InChIKey of 3-benzyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]quinoxalin-2-amine?
The InChIKey is ZHVNOGFDUXXTAY-OVVQPSECSA-N. The full InChI is InChI=1S/C24H22N4/c1-17-12-14-20(15-13-17)18(2)27-28-24-23(16-19-8-4-3-5-9-19)25-21-10-6-7-11-22(21)26-24/h3-15H,16H2,1-2H3,(H,26,28)/b27-18+.
What are the key properties of 3-benzyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]quinoxalin-2-amine?
3-benzyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]quinoxalin-2-amine has a molecular weight of 366.47 g/mol, XLogP of 5.37, 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-(4-methylphenyl)ethylideneamino]quinoxalin-2-amine is sourced from PubChem (CID 52940986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).