N-[5,8-dimethyl-7-(methylideneamino)quinoxalin-6-yl]methanimine

C12H12N4 — CID 143964135

IUPACN-[5,8-dimethyl-7-(methylideneamino)quinoxalin-6-yl]methanimine
SMILESC=Nc1c(N=C)c(C)c2nccnc2c1C
InChIInChI=1S/C12H12N4/c1-7-9(13-3)10(14-4)8(2)12-11(7)15-5-6-16-12/h5-6H,3-4H2,1-2H3
InChIKeyLXJKAWAOXLJFOU-UHFFFAOYSA-N
MW212.26 g/mol
LogP2.91
Rot. Bonds2

About N-[5,8-dimethyl-7-(methylideneamino)quinoxalin-6-yl]methanimine

N-[5,8-dimethyl-7-(methylideneamino)quinoxalin-6-yl]methanimine (PubChem CID 143964135) has the molecular formula C12H12N4 and a molecular weight of 212.26 g/mol. Its IUPAC name is N-[5,8-dimethyl-7-(methylideneamino)quinoxalin-6-yl]methanimine.

Molecular Properties

Compound NameN-[5,8-dimethyl-7-(methylideneamino)quinoxalin-6-yl]methanimine
PubChem CID143964135
Molecular FormulaC12H12N4
Molecular Weight212.26 g/mol
Exact Mass212.11
IUPAC NameN-[5,8-dimethyl-7-(methylideneamino)quinoxalin-6-yl]methanimine
SMILESC=Nc1c(N=C)c(C)c2nccnc2c1C
InChIInChI=1S/C12H12N4/c1-7-9(13-3)10(14-4)8(2)12-11(7)15-5-6-16-12/h5-6H,3-4H2,1-2H3
InChIKeyLXJKAWAOXLJFOU-UHFFFAOYSA-N
XLogP2.91
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5,8-dimethyl-7-(methylideneamino)quinoxalin-6-yl]methanimine?
The IUPAC name of N-[5,8-dimethyl-7-(methylideneamino)quinoxalin-6-yl]methanimine (CID 143964135) is N-[5,8-dimethyl-7-(methylideneamino)quinoxalin-6-yl]methanimine.
What is the SMILES notation for N-[5,8-dimethyl-7-(methylideneamino)quinoxalin-6-yl]methanimine?
The canonical SMILES for N-[5,8-dimethyl-7-(methylideneamino)quinoxalin-6-yl]methanimine is C=Nc1c(N=C)c(C)c2nccnc2c1C.
What is the InChIKey of N-[5,8-dimethyl-7-(methylideneamino)quinoxalin-6-yl]methanimine?
The InChIKey is LXJKAWAOXLJFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4/c1-7-9(13-3)10(14-4)8(2)12-11(7)15-5-6-16-12/h5-6H,3-4H2,1-2H3.
What are the key properties of N-[5,8-dimethyl-7-(methylideneamino)quinoxalin-6-yl]methanimine?
N-[5,8-dimethyl-7-(methylideneamino)quinoxalin-6-yl]methanimine has a molecular weight of 212.26 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5,8-dimethyl-7-(methylideneamino)quinoxalin-6-yl]methanimine is sourced from PubChem (CID 143964135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).