3-acetyl-7-methyl-1,6,7,8-tetrahydroquinoline-2,5-dione

C12H13NO3 — CID 10198330

IUPAC3-acetyl-7-methyl-1,6,7,8-tetrahydroquinoline-2,5-dione
SMILESCC(=O)c1cc2c([nH]c1=O)CC(C)CC2=O
InChIInChI=1S/C12H13NO3/c1-6-3-10-9(11(15)4-6)5-8(7(2)14)12(16)13-10/h5-6H,3-4H2,1-2H3,(H,13,16)
InChIKeyVPOGSCJWZOQIAK-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.34
Rot. Bonds1

About 3-acetyl-7-methyl-1,6,7,8-tetrahydroquinoline-2,5-dione

3-acetyl-7-methyl-1,6,7,8-tetrahydroquinoline-2,5-dione (PubChem CID 10198330) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-acetyl-7-methyl-1,6,7,8-tetrahydroquinoline-2,5-dione.

Molecular Properties

Compound Name3-acetyl-7-methyl-1,6,7,8-tetrahydroquinoline-2,5-dione
PubChem CID10198330
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name3-acetyl-7-methyl-1,6,7,8-tetrahydroquinoline-2,5-dione
SMILESCC(=O)c1cc2c([nH]c1=O)CC(C)CC2=O
InChIInChI=1S/C12H13NO3/c1-6-3-10-9(11(15)4-6)5-8(7(2)14)12(16)13-10/h5-6H,3-4H2,1-2H3,(H,13,16)
InChIKeyVPOGSCJWZOQIAK-UHFFFAOYSA-N
XLogP1.34
TPSA67.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-acetyl-7-methyl-1,6,7,8-tetrahydroquinoline-2,5-dione with MolForge

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Related Compounds

2-Hydroxy-7,8-dihydro-5(6H)-quinolinone
CID 267450
7,7-dimethyl-7,8-dihydroquinoline-2,5(1H,6H)-dione
CID 13516379
7-Methyl-7,8-dihydroquinoline-2,5(1H,6H)-dione
CID 10397336
11-Methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,10-triene-5,13-dione
CID 44322469
2,5-Dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
CID 13005093
N-(3-methylbutyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
CID 33330369
N-(1,4-dimethylcyclohexyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 53608285
N-(cyclopentylmethyl)-N-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 71935578
3-(2,2-Dimethylpropanoyl)-1,6,7,8-tetrahydroquinoline-2,5-dione
CID 76312141
5-acetyl-3-(2,2-dimethylpropanoyl)-6-methyl-1H-pyridin-2-one
CID 76319386
3,5-difluoro-6-(4-oxocyclohexyl)-1H-pyridin-2-one
CID 163370327
7,7-Dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
CID 11031249

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-7-methyl-1,6,7,8-tetrahydroquinoline-2,5-dione?
The IUPAC name of 3-acetyl-7-methyl-1,6,7,8-tetrahydroquinoline-2,5-dione (CID 10198330) is 3-acetyl-7-methyl-1,6,7,8-tetrahydroquinoline-2,5-dione.
What is the SMILES notation for 3-acetyl-7-methyl-1,6,7,8-tetrahydroquinoline-2,5-dione?
The canonical SMILES for 3-acetyl-7-methyl-1,6,7,8-tetrahydroquinoline-2,5-dione is CC(=O)c1cc2c([nH]c1=O)CC(C)CC2=O.
What is the InChIKey of 3-acetyl-7-methyl-1,6,7,8-tetrahydroquinoline-2,5-dione?
The InChIKey is VPOGSCJWZOQIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-6-3-10-9(11(15)4-6)5-8(7(2)14)12(16)13-10/h5-6H,3-4H2,1-2H3,(H,13,16).
What are the key properties of 3-acetyl-7-methyl-1,6,7,8-tetrahydroquinoline-2,5-dione?
3-acetyl-7-methyl-1,6,7,8-tetrahydroquinoline-2,5-dione has a molecular weight of 219.24 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-7-methyl-1,6,7,8-tetrahydroquinoline-2,5-dione is sourced from PubChem (CID 10198330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).