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

C11H10N2O3 — CID 14357756

IUPAC6-(dimethylamino)-1H-quinoline-2,5,8-trione
SMILESCN(C)C1=CC(=O)c2[nH]c(=O)ccc2C1=O
InChIInChI=1S/C11H10N2O3/c1-13(2)7-5-8(14)10-6(11(7)16)3-4-9(15)12-10/h3-5H,1-2H3,(H,12,15)
InChIKeyGUFINQLXTKQWGS-UHFFFAOYSA-N
MW218.21 g/mol
LogP0.20
Rot. Bonds1

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

6-(dimethylamino)-1H-quinoline-2,5,8-trione (PubChem CID 14357756) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 6-(dimethylamino)-1H-quinoline-2,5,8-trione.

Molecular Properties

Compound Name6-(dimethylamino)-1H-quinoline-2,5,8-trione
PubChem CID14357756
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name6-(dimethylamino)-1H-quinoline-2,5,8-trione
SMILESCN(C)C1=CC(=O)c2[nH]c(=O)ccc2C1=O
InChIInChI=1S/C11H10N2O3/c1-13(2)7-5-8(14)10-6(11(7)16)3-4-9(15)12-10/h3-5H,1-2H3,(H,12,15)
InChIKeyGUFINQLXTKQWGS-UHFFFAOYSA-N
XLogP0.20
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 50.20
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

2,5,8(1H)-Quinolinetrione
CID 267592
1-Methylquinoline-2,5,8(1H)-trione
CID 5325722
4-methyl-1H-quinoline-2,5,8-trione
CID 10921303
6-Dimethylamino-1-methyl-1h-quinoline-2,5,8-trione
CID 15154335
Quinoline-2,7-dione
CID 129750799
3-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]-6-methyl-1H-1,6-naphthyridine-2,5-dione
CID 144033406
3-ethyl-1H-quinoline-2,5,8-trione
CID 10856574
6-(4-oxo-1H-pyridin-3-yl)-1H-pyridin-2-one
CID 15019809
Quinolone-3 (5h)-one
CID 129676565
3,4-dimethyl-1H-quinoline-2,5,8-trione
CID 15370078
3-methyl-1H-quinoline-2,5,8-trione
CID 101180032
2(1H)-Pyridinone, 5-acetyl-6-[2-(dimethylamino)ethenyl]-
CID 3735062

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-1H-quinoline-2,5,8-trione?
The IUPAC name of 6-(dimethylamino)-1H-quinoline-2,5,8-trione (CID 14357756) is 6-(dimethylamino)-1H-quinoline-2,5,8-trione.
What is the SMILES notation for 6-(dimethylamino)-1H-quinoline-2,5,8-trione?
The canonical SMILES for 6-(dimethylamino)-1H-quinoline-2,5,8-trione is CN(C)C1=CC(=O)c2[nH]c(=O)ccc2C1=O.
What is the InChIKey of 6-(dimethylamino)-1H-quinoline-2,5,8-trione?
The InChIKey is GUFINQLXTKQWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-13(2)7-5-8(14)10-6(11(7)16)3-4-9(15)12-10/h3-5H,1-2H3,(H,12,15).
What are the key properties of 6-(dimethylamino)-1H-quinoline-2,5,8-trione?
6-(dimethylamino)-1H-quinoline-2,5,8-trione has a molecular weight of 218.21 g/mol, XLogP of 0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-1H-quinoline-2,5,8-trione is sourced from PubChem (CID 14357756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).