1,4-Diacetyltetrahydroquinoxaline

C12H16N2O2 — CID 129796264

IUPAC1-(4-acetyl-2,3,8,8a-tetrahydroquinoxalin-1-yl)ethanone
SMILESCC(=O)N1CCN(C2=CC=CCC21)C(=O)C
InChIInChI=1S/C12H16N2O2/c1-9(15)13-7-8-14(10(2)16)12-6-4-3-5-11(12)13/h3-5,12H,6-8H2,1-2H3
InChIKeyDMKFBFSBWQSXHC-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.10
Rot. Bonds

About 1,4-Diacetyltetrahydroquinoxaline

1,4-Diacetyltetrahydroquinoxaline (PubChem CID 129796264) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-(4-acetyl-2,3,8,8a-tetrahydroquinoxalin-1-yl)ethanone.

Molecular Properties

Compound Name1,4-Diacetyltetrahydroquinoxaline
PubChem CID129796264
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name1-(4-acetyl-2,3,8,8a-tetrahydroquinoxalin-1-yl)ethanone
SMILESCC(=O)N1CCN(C2=CC=CCC21)C(=O)C
InChIInChI=1S/C12H16N2O2/c1-9(15)13-7-8-14(10(2)16)12-6-4-3-5-11(12)13/h3-5,12H,6-8H2,1-2H3
InChIKeyDMKFBFSBWQSXHC-UHFFFAOYSA-N
XLogP0.10
TPSA40.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity384

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Tetrahydroquinoxaline-2,3-dione
CID 22665425
1-[3-[4-(4-Fluorocyclohexa-1,3-dien-1-yl)piperazin-1-yl]azetidin-1-yl]ethanone
CID 142022938
Diethyltetrahydroquinoxalinedione
CID 129760260
N-acetyltetrahydroquinoxaline
CID 129790353
1-(4-Cyclohexa-1,5-dien-1-ylpiperazin-1-yl)ethanone
CID 22485371
4-tert-butyl-8,8a-dihydro-1H-quinoxaline-2,3-dione
CID 53664911
4-methyl-8,8a-dihydro-1H-quinoxaline-2,3-dione
CID 54124500
1-Prop-2-enyl-3,4,4a,5-tetrahydroquinoxalin-2-one
CID 70392242
2,3-Dioxo-4a,5-dihydroquinoxaline-1,4-dicarbonitrile
CID 88538737
1-(4-Hepta-2,4-dien-4-ylpiperazin-1-yl)ethanone
CID 123869836
1-Cyclohexa-1,3-dien-1-yl-4-propan-2-ylpiperazin-2-one
CID 134383197
N-cyclohexa-1,5-dien-1-yl-N-(1-methylpiperidin-4-yl)propanamide;hydrofluoride
CID 142238057

Frequently Asked Questions

What is the IUPAC name of 1,4-Diacetyltetrahydroquinoxaline?
The IUPAC name of 1,4-Diacetyltetrahydroquinoxaline (CID 129796264) is 1-(4-acetyl-2,3,8,8a-tetrahydroquinoxalin-1-yl)ethanone.
What is the SMILES notation for 1,4-Diacetyltetrahydroquinoxaline?
The canonical SMILES for 1,4-Diacetyltetrahydroquinoxaline is CC(=O)N1CCN(C2=CC=CCC21)C(=O)C.
What is the InChIKey of 1,4-Diacetyltetrahydroquinoxaline?
The InChIKey is DMKFBFSBWQSXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-9(15)13-7-8-14(10(2)16)12-6-4-3-5-11(12)13/h3-5,12H,6-8H2,1-2H3.
What are the key properties of 1,4-Diacetyltetrahydroquinoxaline?
1,4-Diacetyltetrahydroquinoxaline has a molecular weight of 220.27 g/mol, XLogP of 0.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-Diacetyltetrahydroquinoxaline is sourced from PubChem (CID 129796264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).