4-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)benzenecarboximidamide

C17H20N4 — CID 63779301

IUPAC4-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)cc1N1CCN(C)c2ccccc21
InChIInChI=1S/C17H20N4/c1-12-7-8-13(17(18)19)16(11-12)21-10-9-20(2)14-5-3-4-6-15(14)21/h3-8,11H,9-10H2,1-2H3,(H3,18,19)
InChIKeyFFBFRLGWPIYSRC-UHFFFAOYSA-N
MW280.38 g/mol
LogP2.87
Rot. Bonds2

About 4-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)benzenecarboximidamide

4-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)benzenecarboximidamide (PubChem CID 63779301) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 4-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)benzenecarboximidamide.

Molecular Properties

Compound Name4-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)benzenecarboximidamide
PubChem CID63779301
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name4-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)cc1N1CCN(C)c2ccccc21
InChIInChI=1S/C17H20N4/c1-12-7-8-13(17(18)19)16(11-12)21-10-9-20(2)14-5-3-4-6-15(14)21/h3-8,11H,9-10H2,1-2H3,(H3,18,19)
InChIKeyFFBFRLGWPIYSRC-UHFFFAOYSA-N
XLogP2.87
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)benzenecarboximidamide?
The IUPAC name of 4-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)benzenecarboximidamide (CID 63779301) is 4-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)benzenecarboximidamide.
What is the SMILES notation for 4-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)benzenecarboximidamide?
The canonical SMILES for 4-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(C)cc1N1CCN(C)c2ccccc21.
What is the InChIKey of 4-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)benzenecarboximidamide?
The InChIKey is FFBFRLGWPIYSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-12-7-8-13(17(18)19)16(11-12)21-10-9-20(2)14-5-3-4-6-15(14)21/h3-8,11H,9-10H2,1-2H3,(H3,18,19).
What are the key properties of 4-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)benzenecarboximidamide?
4-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)benzenecarboximidamide has a molecular weight of 280.38 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)benzenecarboximidamide is sourced from PubChem (CID 63779301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).