1-(4-benzyl-2-methyl-2,3-dihydroquinoxalin-1-yl)ethanone

C18H20N2O — CID 123146482

IUPAC1-(4-benzyl-2-methyl-2,3-dihydroquinoxalin-1-yl)ethanone
SMILESCC(=O)N1c2ccccc2N(Cc2ccccc2)CC1C
InChIInChI=1S/C18H20N2O/c1-14-12-19(13-16-8-4-3-5-9-16)17-10-6-7-11-18(17)20(14)15(2)21/h3-11,14H,12-13H2,1-2H3
InChIKeyBUTZOZNMAIBCJR-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.45
Rot. Bonds2

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

1-(4-benzyl-2-methyl-2,3-dihydroquinoxalin-1-yl)ethanone (PubChem CID 123146482) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(4-benzyl-2-methyl-2,3-dihydroquinoxalin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-benzyl-2-methyl-2,3-dihydroquinoxalin-1-yl)ethanone
PubChem CID123146482
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name1-(4-benzyl-2-methyl-2,3-dihydroquinoxalin-1-yl)ethanone
SMILESCC(=O)N1c2ccccc2N(Cc2ccccc2)CC1C
InChIInChI=1S/C18H20N2O/c1-14-12-19(13-16-8-4-3-5-9-16)17-10-6-7-11-18(17)20(14)15(2)21/h3-11,14H,12-13H2,1-2H3
InChIKeyBUTZOZNMAIBCJR-UHFFFAOYSA-N
XLogP3.45
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-benzyl-2-methyl-2,3-dihydroquinoxalin-1-yl)ethanone?
The IUPAC name of 1-(4-benzyl-2-methyl-2,3-dihydroquinoxalin-1-yl)ethanone (CID 123146482) is 1-(4-benzyl-2-methyl-2,3-dihydroquinoxalin-1-yl)ethanone.
What is the SMILES notation for 1-(4-benzyl-2-methyl-2,3-dihydroquinoxalin-1-yl)ethanone?
The canonical SMILES for 1-(4-benzyl-2-methyl-2,3-dihydroquinoxalin-1-yl)ethanone is CC(=O)N1c2ccccc2N(Cc2ccccc2)CC1C.
What is the InChIKey of 1-(4-benzyl-2-methyl-2,3-dihydroquinoxalin-1-yl)ethanone?
The InChIKey is BUTZOZNMAIBCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-14-12-19(13-16-8-4-3-5-9-16)17-10-6-7-11-18(17)20(14)15(2)21/h3-11,14H,12-13H2,1-2H3.
What are the key properties of 1-(4-benzyl-2-methyl-2,3-dihydroquinoxalin-1-yl)ethanone?
1-(4-benzyl-2-methyl-2,3-dihydroquinoxalin-1-yl)ethanone has a molecular weight of 280.37 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzyl-2-methyl-2,3-dihydroquinoxalin-1-yl)ethanone is sourced from PubChem (CID 123146482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).