1-(2,2,8-trimethyl-3,4-dihydroquinoxalin-1-yl)ethanone

C13H18N2O — CID 82393197

IUPAC1-(2,2,8-trimethyl-3,4-dihydroquinoxalin-1-yl)ethanone
SMILESCC(=O)N1c2c(C)cccc2NCC1(C)C
InChIInChI=1S/C13H18N2O/c1-9-6-5-7-11-12(9)15(10(2)16)13(3,4)8-14-11/h5-7,14H,8H2,1-4H3
InChIKeyIURDCKPIHOQVND-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.55
Rot. Bonds

About 1-(2,2,8-trimethyl-3,4-dihydroquinoxalin-1-yl)ethanone

1-(2,2,8-trimethyl-3,4-dihydroquinoxalin-1-yl)ethanone (PubChem CID 82393197) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(2,2,8-trimethyl-3,4-dihydroquinoxalin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,2,8-trimethyl-3,4-dihydroquinoxalin-1-yl)ethanone
PubChem CID82393197
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-(2,2,8-trimethyl-3,4-dihydroquinoxalin-1-yl)ethanone
SMILESCC(=O)N1c2c(C)cccc2NCC1(C)C
InChIInChI=1S/C13H18N2O/c1-9-6-5-7-11-12(9)15(10(2)16)13(3,4)8-14-11/h5-7,14H,8H2,1-4H3
InChIKeyIURDCKPIHOQVND-UHFFFAOYSA-N
XLogP2.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,8-trimethyl-3,4-dihydroquinoxalin-1-yl)ethanone?
The IUPAC name of 1-(2,2,8-trimethyl-3,4-dihydroquinoxalin-1-yl)ethanone (CID 82393197) is 1-(2,2,8-trimethyl-3,4-dihydroquinoxalin-1-yl)ethanone.
What is the SMILES notation for 1-(2,2,8-trimethyl-3,4-dihydroquinoxalin-1-yl)ethanone?
The canonical SMILES for 1-(2,2,8-trimethyl-3,4-dihydroquinoxalin-1-yl)ethanone is CC(=O)N1c2c(C)cccc2NCC1(C)C.
What is the InChIKey of 1-(2,2,8-trimethyl-3,4-dihydroquinoxalin-1-yl)ethanone?
The InChIKey is IURDCKPIHOQVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-9-6-5-7-11-12(9)15(10(2)16)13(3,4)8-14-11/h5-7,14H,8H2,1-4H3.
What are the key properties of 1-(2,2,8-trimethyl-3,4-dihydroquinoxalin-1-yl)ethanone?
1-(2,2,8-trimethyl-3,4-dihydroquinoxalin-1-yl)ethanone has a molecular weight of 218.30 g/mol, XLogP of 2.55, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,8-trimethyl-3,4-dihydroquinoxalin-1-yl)ethanone is sourced from PubChem (CID 82393197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).