3-benzyl-N-[(E)-(2-chlorophenyl)methylideneamino]quinoxalin-2-amine

C22H17ClN4 — CID 52947508

IUPAC3-benzyl-N-[(E)-(2-chlorophenyl)methylideneamino]quinoxalin-2-amine
SMILESClc1ccccc1/C=N/Nc1nc2ccccc2nc1Cc1ccccc1
InChIInChI=1S/C22H17ClN4/c23-18-11-5-4-10-17(18)15-24-27-22-21(14-16-8-2-1-3-9-16)25-19-12-6-7-13-20(19)26-22/h1-13,15H,14H2,(H,26,27)/b24-15+
InChIKeyMEGPPXSFNJYMNH-BUVRLJJBSA-N
MW372.86 g/mol
LogP5.32
Rot. Bonds5

About 3-benzyl-N-[(E)-(2-chlorophenyl)methylideneamino]quinoxalin-2-amine

3-benzyl-N-[(E)-(2-chlorophenyl)methylideneamino]quinoxalin-2-amine (PubChem CID 52947508) has the molecular formula C22H17ClN4 and a molecular weight of 372.86 g/mol. Its IUPAC name is 3-benzyl-N-[(E)-(2-chlorophenyl)methylideneamino]quinoxalin-2-amine.

Molecular Properties

Compound Name3-benzyl-N-[(E)-(2-chlorophenyl)methylideneamino]quinoxalin-2-amine
PubChem CID52947508
Molecular FormulaC22H17ClN4
Molecular Weight372.86 g/mol
Exact Mass372.11
IUPAC Name3-benzyl-N-[(E)-(2-chlorophenyl)methylideneamino]quinoxalin-2-amine
SMILESClc1ccccc1/C=N/Nc1nc2ccccc2nc1Cc1ccccc1
InChIInChI=1S/C22H17ClN4/c23-18-11-5-4-10-17(18)15-24-27-22-21(14-16-8-2-1-3-9-16)25-19-12-6-7-13-20(19)26-22/h1-13,15H,14H2,(H,26,27)/b24-15+
InChIKeyMEGPPXSFNJYMNH-BUVRLJJBSA-N
XLogP5.32
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.86
LogP ≤ 55.32
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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Related Compounds

2-Benzyl-3-hydrazinoquinoxaline
CID 488815
1-(3-(4-Chlorobenzyl)quinoxalin-2-yl)hydrazine
CID 44409445
1-(3-Benzyl-6,7-dichloroquinoxalin-2-yl)hydrazine
CID 44409446
benzenecarbaldehyde N-[3-(trifluoromethyl)-2-quinoxalinyl]hydrazone
CID 6105128
4-chlorobenzenecarbaldehyde N-[3-(trifluoromethyl)-2-quinoxalinyl]hydrazone
CID 9638237
2,6-dichlorobenzenecarbaldehyde N-[3-(trifluoromethyl)-2-quinoxalinyl]hydrazone
CID 9655414
3-benzyl-N-(methylideneamino)quinoxalin-2-amine
CID 46945876
3-benzyl-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]quinoxalin-2-amine
CID 52940789
3-benzyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]quinoxalin-2-amine
CID 52940986
3-benzyl-N-[(E)-(4-nitrophenyl)methylideneamino]quinoxalin-2-amine
CID 52945277
N-[(E)-1-(4-aminophenyl)ethylideneamino]-3-benzylquinoxalin-2-amine
CID 52946210
3-benzyl-N-[(E)-1-phenylethylideneamino]quinoxalin-2-amine
CID 52946538

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-[(E)-(2-chlorophenyl)methylideneamino]quinoxalin-2-amine?
The IUPAC name of 3-benzyl-N-[(E)-(2-chlorophenyl)methylideneamino]quinoxalin-2-amine (CID 52947508) is 3-benzyl-N-[(E)-(2-chlorophenyl)methylideneamino]quinoxalin-2-amine.
What is the SMILES notation for 3-benzyl-N-[(E)-(2-chlorophenyl)methylideneamino]quinoxalin-2-amine?
The canonical SMILES for 3-benzyl-N-[(E)-(2-chlorophenyl)methylideneamino]quinoxalin-2-amine is Clc1ccccc1/C=N/Nc1nc2ccccc2nc1Cc1ccccc1.
What is the InChIKey of 3-benzyl-N-[(E)-(2-chlorophenyl)methylideneamino]quinoxalin-2-amine?
The InChIKey is MEGPPXSFNJYMNH-BUVRLJJBSA-N. The full InChI is InChI=1S/C22H17ClN4/c23-18-11-5-4-10-17(18)15-24-27-22-21(14-16-8-2-1-3-9-16)25-19-12-6-7-13-20(19)26-22/h1-13,15H,14H2,(H,26,27)/b24-15+.
What are the key properties of 3-benzyl-N-[(E)-(2-chlorophenyl)methylideneamino]quinoxalin-2-amine?
3-benzyl-N-[(E)-(2-chlorophenyl)methylideneamino]quinoxalin-2-amine has a molecular weight of 372.86 g/mol, XLogP of 5.32, 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)-(2-chlorophenyl)methylideneamino]quinoxalin-2-amine is sourced from PubChem (CID 52947508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).