6-(dimethylamino)-4-methyl-1H-quinoline-2,5,8-trione

C12H12N2O3 — CID 10857314

IUPAC6-(dimethylamino)-4-methyl-1H-quinoline-2,5,8-trione
SMILESCc1cc(=O)[nH]c2c1C(=O)C(N(C)C)=CC2=O
InChIInChI=1S/C12H12N2O3/c1-6-4-9(16)13-11-8(15)5-7(14(2)3)12(17)10(6)11/h4-5H,1-3H3,(H,13,16)
InChIKeyZRQXYUPQWNVFRO-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.51
Rot. Bonds1

About 6-(dimethylamino)-4-methyl-1H-quinoline-2,5,8-trione

6-(dimethylamino)-4-methyl-1H-quinoline-2,5,8-trione (PubChem CID 10857314) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 6-(dimethylamino)-4-methyl-1H-quinoline-2,5,8-trione.

Molecular Properties

Compound Name6-(dimethylamino)-4-methyl-1H-quinoline-2,5,8-trione
PubChem CID10857314
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name6-(dimethylamino)-4-methyl-1H-quinoline-2,5,8-trione
SMILESCc1cc(=O)[nH]c2c1C(=O)C(N(C)C)=CC2=O
InChIInChI=1S/C12H12N2O3/c1-6-4-9(16)13-11-8(15)5-7(14(2)3)12(17)10(6)11/h4-5H,1-3H3,(H,13,16)
InChIKeyZRQXYUPQWNVFRO-UHFFFAOYSA-N
XLogP0.51
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Deoxynyboquinone
CID 295934
Quinone, 12
CID 14929519
6-Dimethylamino-1h-quinoline-2,5,8-trione
CID 14357756
4-methyl-1H-quinoline-2,5,8-trione
CID 10921303
6-Dimethylamino-1-methyl-1h-quinoline-2,5,8-trione
CID 15154335
2-butyl-1-(fluoromethyl)-8H-1,6-naphthyridine-4,5,7-trione
CID 58456593
3-ethyl-1H-quinoline-2,5,8-trione
CID 10856574
3,4-dimethyl-1H-quinoline-2,5,8-trione
CID 15370078
4-ethyl-1H-quinoline-2,5,8-trione
CID 15370079
3-Ethyl-1,9-dihydropyrido[3,2-g]quinoline-2,5,8,10-tetrone
CID 19701069
3,6-Dimethyl-1,9-dihydropyrido[3,2-g]quinoline-2,5,8,10-tetrone
CID 19701075
5-acetyl-6-methyl-3-propyl-1H-pyridin-2-one
CID 19762913

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-4-methyl-1H-quinoline-2,5,8-trione?
The IUPAC name of 6-(dimethylamino)-4-methyl-1H-quinoline-2,5,8-trione (CID 10857314) is 6-(dimethylamino)-4-methyl-1H-quinoline-2,5,8-trione.
What is the SMILES notation for 6-(dimethylamino)-4-methyl-1H-quinoline-2,5,8-trione?
The canonical SMILES for 6-(dimethylamino)-4-methyl-1H-quinoline-2,5,8-trione is Cc1cc(=O)[nH]c2c1C(=O)C(N(C)C)=CC2=O.
What is the InChIKey of 6-(dimethylamino)-4-methyl-1H-quinoline-2,5,8-trione?
The InChIKey is ZRQXYUPQWNVFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-6-4-9(16)13-11-8(15)5-7(14(2)3)12(17)10(6)11/h4-5H,1-3H3,(H,13,16).
What are the key properties of 6-(dimethylamino)-4-methyl-1H-quinoline-2,5,8-trione?
6-(dimethylamino)-4-methyl-1H-quinoline-2,5,8-trione has a molecular weight of 232.24 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-4-methyl-1H-quinoline-2,5,8-trione is sourced from PubChem (CID 10857314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).