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

C22H18N4 — CID 52949864

IUPAC3-benzyl-N-[(E)-benzylideneamino]quinoxalin-2-amine
SMILESC(=N/Nc1nc2ccccc2nc1Cc1ccccc1)\c1ccccc1
InChIInChI=1S/C22H18N4/c1-3-9-17(10-4-1)15-21-22(25-20-14-8-7-13-19(20)24-21)26-23-16-18-11-5-2-6-12-18/h1-14,16H,15H2,(H,25,26)/b23-16+
InChIKeyNCVHOMJLEYWEFF-XQNSMLJCSA-N
MW338.41 g/mol
LogP4.67
Rot. Bonds5

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

3-benzyl-N-[(E)-benzylideneamino]quinoxalin-2-amine (PubChem CID 52949864) has the molecular formula C22H18N4 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-benzyl-N-[(E)-benzylideneamino]quinoxalin-2-amine.

Molecular Properties

Compound Name3-benzyl-N-[(E)-benzylideneamino]quinoxalin-2-amine
PubChem CID52949864
Molecular FormulaC22H18N4
Molecular Weight338.41 g/mol
Exact Mass338.15
IUPAC Name3-benzyl-N-[(E)-benzylideneamino]quinoxalin-2-amine
SMILESC(=N/Nc1nc2ccccc2nc1Cc1ccccc1)\c1ccccc1
InChIInChI=1S/C22H18N4/c1-3-9-17(10-4-1)15-21-22(25-20-14-8-7-13-19(20)24-21)26-23-16-18-11-5-2-6-12-18/h1-14,16H,15H2,(H,25,26)/b23-16+
InChIKeyNCVHOMJLEYWEFF-XQNSMLJCSA-N
XLogP4.67
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.67
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

3-benzyl-N-[(E)-(3-bromophenyl)methylideneamino]quinoxalin-2-amine
CID 52949898
3-benzyl-N-[(Z)-(2-methoxyphenyl)methylideneamino]quinoxalin-2-amine
CID 46945272
3-chloro-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]quinoxalin-2-amine
CID 56725881
N-[(E)-(4-methoxyphenyl)methylideneamino]-3-(methylsulfonylmethyl)quinoxalin-2-amine
CID 177392301
N-[(E)-1-(4-aminophenyl)ethylideneamino]-3-benzylquinoxalin-2-amine
CID 52946210
2-N,3-N-bis[[4-(diethylamino)phenyl]methylideneamino]quinoxaline-2,3-diamine
CID 3339070
N-[(4-chlorophenyl)methylideneamino]-3-(trifluoromethyl)quinoxalin-2-amine
CID 3835429
3-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]phenol
CID 39869221
3-chloro-N-[(4-methylsulfanylphenyl)methylideneamino]quinoxalin-2-amine
CID 3292221
2-N-[(Z)-benzylideneamino]benzene-1,2-diamine
CID 6255297
N-[(E)-benzylideneamino]-4-methyl-1,3,5-triazin-2-amine
CID 121223490
5-[(3-chlorophenyl)methyl]-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-phenyl-1,2,4-triazin-6-amine
CID 171352071

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-[(E)-benzylideneamino]quinoxalin-2-amine?
The IUPAC name of 3-benzyl-N-[(E)-benzylideneamino]quinoxalin-2-amine (CID 52949864) is 3-benzyl-N-[(E)-benzylideneamino]quinoxalin-2-amine.
What is the SMILES notation for 3-benzyl-N-[(E)-benzylideneamino]quinoxalin-2-amine?
The canonical SMILES for 3-benzyl-N-[(E)-benzylideneamino]quinoxalin-2-amine is C(=N/Nc1nc2ccccc2nc1Cc1ccccc1)\c1ccccc1.
What is the InChIKey of 3-benzyl-N-[(E)-benzylideneamino]quinoxalin-2-amine?
The InChIKey is NCVHOMJLEYWEFF-XQNSMLJCSA-N. The full InChI is InChI=1S/C22H18N4/c1-3-9-17(10-4-1)15-21-22(25-20-14-8-7-13-19(20)24-21)26-23-16-18-11-5-2-6-12-18/h1-14,16H,15H2,(H,25,26)/b23-16+.
What are the key properties of 3-benzyl-N-[(E)-benzylideneamino]quinoxalin-2-amine?
3-benzyl-N-[(E)-benzylideneamino]quinoxalin-2-amine has a molecular weight of 338.41 g/mol, XLogP of 4.67, 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)-benzylideneamino]quinoxalin-2-amine is sourced from PubChem (CID 52949864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).