6-(dimethylamino)-1-methylquinoline-2,5,8-trione

C12H12N2O3 — CID 15154335

IUPAC6-(dimethylamino)-1-methylquinoline-2,5,8-trione
SMILESCN(C)C1=CC(=O)c2c(ccc(=O)n2C)C1=O
InChIInChI=1S/C12H12N2O3/c1-13(2)8-6-9(15)11-7(12(8)17)4-5-10(16)14(11)3/h4-6H,1-3H3
InChIKeyLXEAFKDBDJQDHB-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.21
Rot. Bonds1

About 6-(dimethylamino)-1-methylquinoline-2,5,8-trione

6-(dimethylamino)-1-methylquinoline-2,5,8-trione (PubChem CID 15154335) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 6-(dimethylamino)-1-methylquinoline-2,5,8-trione.

Molecular Properties

Compound Name6-(dimethylamino)-1-methylquinoline-2,5,8-trione
PubChem CID15154335
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name6-(dimethylamino)-1-methylquinoline-2,5,8-trione
SMILESCN(C)C1=CC(=O)c2c(ccc(=O)n2C)C1=O
InChIInChI=1S/C12H12N2O3/c1-13(2)8-6-9(15)11-7(12(8)17)4-5-10(16)14(11)3/h4-6H,1-3H3
InChIKeyLXEAFKDBDJQDHB-UHFFFAOYSA-N
XLogP0.21
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

Quinone, 12
CID 14929519
1-Methylquinoline-2,5,8(1H)-trione
CID 5325722
6-Dimethylamino-1h-quinoline-2,5,8-trione
CID 14357756
1-Acetyl-6,7,8,9-tetrahydroquinolizin-4-one
CID 15421000
6-dimethylamino-4-methyl-1H-quinoline-2,5,8-trione
CID 10857314
1-Methyl-6-propanoylpyridin-2-one
CID 12331408
1,4-dimethyl-8H-quinoline-2,7-dione
CID 19829051
2-Acetyl-7-isocyanoquinolizin-4-one
CID 21364097
2-Acetyl-7-methylquinolizin-4-one
CID 21364098
6-Amino-1,3,4-trimethylquinoline-2,5,8-trione
CID 21802184
2-Acetylquinolizin-4-one
CID 118627592
1,3-Dimethyl-7,8-dihydroquinolin-2-one
CID 134485404

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-1-methylquinoline-2,5,8-trione?
The IUPAC name of 6-(dimethylamino)-1-methylquinoline-2,5,8-trione (CID 15154335) is 6-(dimethylamino)-1-methylquinoline-2,5,8-trione.
What is the SMILES notation for 6-(dimethylamino)-1-methylquinoline-2,5,8-trione?
The canonical SMILES for 6-(dimethylamino)-1-methylquinoline-2,5,8-trione is CN(C)C1=CC(=O)c2c(ccc(=O)n2C)C1=O.
What is the InChIKey of 6-(dimethylamino)-1-methylquinoline-2,5,8-trione?
The InChIKey is LXEAFKDBDJQDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-13(2)8-6-9(15)11-7(12(8)17)4-5-10(16)14(11)3/h4-6H,1-3H3.
What are the key properties of 6-(dimethylamino)-1-methylquinoline-2,5,8-trione?
6-(dimethylamino)-1-methylquinoline-2,5,8-trione has a molecular weight of 232.24 g/mol, XLogP of 0.21, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-1-methylquinoline-2,5,8-trione is sourced from PubChem (CID 15154335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).