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

C24H22N4O — CID 52943773

IUPAC3-benzyl-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]quinoxalin-2-amine
SMILESCOc1ccc(/C(C)=N/Nc2nc3ccccc3nc2Cc2ccccc2)cc1
InChIInChI=1S/C24H22N4O/c1-17(19-12-14-20(29-2)15-13-19)27-28-24-23(16-18-8-4-3-5-9-18)25-21-10-6-7-11-22(21)26-24/h3-15H,16H2,1-2H3,(H,26,28)/b27-17+
InChIKeyKZIMYGIAZGHZGV-WPWMEQJKSA-N
MW382.47 g/mol
LogP5.07
Rot. Bonds6

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

3-benzyl-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]quinoxalin-2-amine (PubChem CID 52943773) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is 3-benzyl-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]quinoxalin-2-amine.

Molecular Properties

Compound Name3-benzyl-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]quinoxalin-2-amine
PubChem CID52943773
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC Name3-benzyl-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]quinoxalin-2-amine
SMILESCOc1ccc(/C(C)=N/Nc2nc3ccccc3nc2Cc2ccccc2)cc1
InChIInChI=1S/C24H22N4O/c1-17(19-12-14-20(29-2)15-13-19)27-28-24-23(16-18-8-4-3-5-9-18)25-21-10-6-7-11-22(21)26-24/h3-15H,16H2,1-2H3,(H,26,28)/b27-17+
InChIKeyKZIMYGIAZGHZGV-WPWMEQJKSA-N
XLogP5.07
TPSA59.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.47
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-methoxyphenyl)ethylideneamino]quinoxalin-2-amine?
The IUPAC name of 3-benzyl-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]quinoxalin-2-amine (CID 52943773) is 3-benzyl-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]quinoxalin-2-amine.
What is the SMILES notation for 3-benzyl-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]quinoxalin-2-amine?
The canonical SMILES for 3-benzyl-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]quinoxalin-2-amine is COc1ccc(/C(C)=N/Nc2nc3ccccc3nc2Cc2ccccc2)cc1.
What is the InChIKey of 3-benzyl-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]quinoxalin-2-amine?
The InChIKey is KZIMYGIAZGHZGV-WPWMEQJKSA-N. The full InChI is InChI=1S/C24H22N4O/c1-17(19-12-14-20(29-2)15-13-19)27-28-24-23(16-18-8-4-3-5-9-18)25-21-10-6-7-11-22(21)26-24/h3-15H,16H2,1-2H3,(H,26,28)/b27-17+.
What are the key properties of 3-benzyl-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]quinoxalin-2-amine?
3-benzyl-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]quinoxalin-2-amine has a molecular weight of 382.47 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]quinoxalin-2-amine is sourced from PubChem (CID 52943773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).