3-benzyl-N-(methylideneamino)quinoxalin-2-amine

C16H14N4 — CID 46945876

IUPAC3-benzyl-N-(methylideneamino)quinoxalin-2-amine
SMILESC=NNc1nc2ccccc2nc1Cc1ccccc1
InChIInChI=1S/C16H14N4/c1-17-20-16-15(11-12-7-3-2-4-8-12)18-13-9-5-6-10-14(13)19-16/h2-10H,1,11H2,(H,19,20)
InChIKeyWOEQMVWEXQWORH-UHFFFAOYSA-N
MW262.32 g/mol
LogP3.25
Rot. Bonds4

About 3-benzyl-N-(methylideneamino)quinoxalin-2-amine

3-benzyl-N-(methylideneamino)quinoxalin-2-amine (PubChem CID 46945876) has the molecular formula C16H14N4 and a molecular weight of 262.32 g/mol. Its IUPAC name is 3-benzyl-N-(methylideneamino)quinoxalin-2-amine.

Molecular Properties

Compound Name3-benzyl-N-(methylideneamino)quinoxalin-2-amine
PubChem CID46945876
Molecular FormulaC16H14N4
Molecular Weight262.32 g/mol
Exact Mass262.12
IUPAC Name3-benzyl-N-(methylideneamino)quinoxalin-2-amine
SMILESC=NNc1nc2ccccc2nc1Cc1ccccc1
InChIInChI=1S/C16H14N4/c1-17-20-16-15(11-12-7-3-2-4-8-12)18-13-9-5-6-10-14(13)19-16/h2-10H,1,11H2,(H,19,20)
InChIKeyWOEQMVWEXQWORH-UHFFFAOYSA-N
XLogP3.25
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 53.25
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-(methylideneamino)quinoxalin-2-amine?
The IUPAC name of 3-benzyl-N-(methylideneamino)quinoxalin-2-amine (CID 46945876) is 3-benzyl-N-(methylideneamino)quinoxalin-2-amine.
What is the SMILES notation for 3-benzyl-N-(methylideneamino)quinoxalin-2-amine?
The canonical SMILES for 3-benzyl-N-(methylideneamino)quinoxalin-2-amine is C=NNc1nc2ccccc2nc1Cc1ccccc1.
What is the InChIKey of 3-benzyl-N-(methylideneamino)quinoxalin-2-amine?
The InChIKey is WOEQMVWEXQWORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4/c1-17-20-16-15(11-12-7-3-2-4-8-12)18-13-9-5-6-10-14(13)19-16/h2-10H,1,11H2,(H,19,20).
What are the key properties of 3-benzyl-N-(methylideneamino)quinoxalin-2-amine?
3-benzyl-N-(methylideneamino)quinoxalin-2-amine has a molecular weight of 262.32 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N-(methylideneamino)quinoxalin-2-amine is sourced from PubChem (CID 46945876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).