3-benzyl-N-[(Z)-(2-methoxyphenyl)methylideneamino]quinoxalin-2-amine

C23H20N4O — CID 46945272

IUPAC3-benzyl-N-[(Z)-(2-methoxyphenyl)methylideneamino]quinoxalin-2-amine
SMILESCOc1ccccc1/C=N\Nc1nc2ccccc2nc1Cc1ccccc1
InChIInChI=1S/C23H20N4O/c1-28-22-14-8-5-11-18(22)16-24-27-23-21(15-17-9-3-2-4-10-17)25-19-12-6-7-13-20(19)26-23/h2-14,16H,15H2,1H3,(H,26,27)/b24-16-
InChIKeyZYXGZEVFKQKZBS-JLPGSUDCSA-N
MW368.44 g/mol
LogP4.68
Rot. Bonds6

About 3-benzyl-N-[(Z)-(2-methoxyphenyl)methylideneamino]quinoxalin-2-amine

3-benzyl-N-[(Z)-(2-methoxyphenyl)methylideneamino]quinoxalin-2-amine (PubChem CID 46945272) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is 3-benzyl-N-[(Z)-(2-methoxyphenyl)methylideneamino]quinoxalin-2-amine.

Molecular Properties

Compound Name3-benzyl-N-[(Z)-(2-methoxyphenyl)methylideneamino]quinoxalin-2-amine
PubChem CID46945272
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC Name3-benzyl-N-[(Z)-(2-methoxyphenyl)methylideneamino]quinoxalin-2-amine
SMILESCOc1ccccc1/C=N\Nc1nc2ccccc2nc1Cc1ccccc1
InChIInChI=1S/C23H20N4O/c1-28-22-14-8-5-11-18(22)16-24-27-23-21(15-17-9-3-2-4-10-17)25-19-12-6-7-13-20(19)26-23/h2-14,16H,15H2,1H3,(H,26,27)/b24-16-
InChIKeyZYXGZEVFKQKZBS-JLPGSUDCSA-N
XLogP4.68
TPSA59.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.68
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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Related Compounds

3-benzyl-N-[(E)-benzylideneamino]quinoxalin-2-amine
CID 52949864
3-benzyl-N-[(E)-(3-bromophenyl)methylideneamino]quinoxalin-2-amine
CID 52949898
N-[(E)-(2-methoxyphenyl)methylideneamino]-2-(trichloromethyl)quinazolin-4-amine
CID 21234889
2-methoxy-6-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]phenol
CID 135411529
2-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-3H-quinazolin-4-one
CID 135697070
2-benzyl-3-methoxyquinoline
CID 159244403
3,4-dichloro-N-[(Z)-(2-methoxyphenyl)methylideneamino]aniline
CID 7979466
N-[(E)-(4-methoxyphenyl)methylideneamino]-3-(methylsulfonylmethyl)quinoxalin-2-amine
CID 177392301
N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]aniline
CID 110337114
N-[(E)-(2-methoxyphenyl)methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 96886431
N'-(3-benzylquinoxalin-2-yl)-4-methoxybenzohydrazide
CID 118731256
1-(2-methoxyphenyl)-N-phenylmethoxymethanimine
CID 75981021

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-[(Z)-(2-methoxyphenyl)methylideneamino]quinoxalin-2-amine?
The IUPAC name of 3-benzyl-N-[(Z)-(2-methoxyphenyl)methylideneamino]quinoxalin-2-amine (CID 46945272) is 3-benzyl-N-[(Z)-(2-methoxyphenyl)methylideneamino]quinoxalin-2-amine.
What is the SMILES notation for 3-benzyl-N-[(Z)-(2-methoxyphenyl)methylideneamino]quinoxalin-2-amine?
The canonical SMILES for 3-benzyl-N-[(Z)-(2-methoxyphenyl)methylideneamino]quinoxalin-2-amine is COc1ccccc1/C=N\Nc1nc2ccccc2nc1Cc1ccccc1.
What is the InChIKey of 3-benzyl-N-[(Z)-(2-methoxyphenyl)methylideneamino]quinoxalin-2-amine?
The InChIKey is ZYXGZEVFKQKZBS-JLPGSUDCSA-N. The full InChI is InChI=1S/C23H20N4O/c1-28-22-14-8-5-11-18(22)16-24-27-23-21(15-17-9-3-2-4-10-17)25-19-12-6-7-13-20(19)26-23/h2-14,16H,15H2,1H3,(H,26,27)/b24-16-.
What are the key properties of 3-benzyl-N-[(Z)-(2-methoxyphenyl)methylideneamino]quinoxalin-2-amine?
3-benzyl-N-[(Z)-(2-methoxyphenyl)methylideneamino]quinoxalin-2-amine has a molecular weight of 368.44 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N-[(Z)-(2-methoxyphenyl)methylideneamino]quinoxalin-2-amine is sourced from PubChem (CID 46945272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).