3-methyl-1H-quinoline-2,5,8-trione

C10H7NO3 — CID 101180032

IUPAC3-methyl-1H-quinoline-2,5,8-trione
SMILESCc1cc2c([nH]c1=O)C(=O)C=CC2=O
InChIInChI=1S/C10H7NO3/c1-5-4-6-7(12)2-3-8(13)9(6)11-10(5)14/h2-4H,1H3,(H,11,14)
InChIKeyGYCSAAXPULPHOR-UHFFFAOYSA-N
MW189.17 g/mol
LogP0.62
Rot. Bonds

About 3-methyl-1H-quinoline-2,5,8-trione

3-methyl-1H-quinoline-2,5,8-trione (PubChem CID 101180032) has the molecular formula C10H7NO3 and a molecular weight of 189.17 g/mol. Its IUPAC name is 3-methyl-1H-quinoline-2,5,8-trione.

Molecular Properties

Compound Name3-methyl-1H-quinoline-2,5,8-trione
PubChem CID101180032
Molecular FormulaC10H7NO3
Molecular Weight189.17 g/mol
Exact Mass189.04
IUPAC Name3-methyl-1H-quinoline-2,5,8-trione
SMILESCc1cc2c([nH]c1=O)C(=O)C=CC2=O
InChIInChI=1S/C10H7NO3/c1-5-4-6-7(12)2-3-8(13)9(6)11-10(5)14/h2-4H,1H3,(H,11,14)
InChIKeyGYCSAAXPULPHOR-UHFFFAOYSA-N
XLogP0.62
TPSA67.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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
5-acetyl-6-methyl-2(1H)-pyridinone
CID 4421736
N-(3,4-dioxocyclohexa-1,5-dien-1-yl)acetamide
CID 459277
1-Methylquinoline-2,5,8(1H)-trione
CID 5325722
6-Dimethylamino-1h-quinoline-2,5,8-trione
CID 14357756
4-methyl-1H-quinoline-2,5,8-trione
CID 10921303
Acetamide, N-(5-methyl-p-benzoquinonyl)-
CID 97510
6-Ethyl-5-propanoylpyridin-2(1H)-one
CID 13236508
1,4-dimethyl-2H-isoquinolin-3-one
CID 15252083
Quinoline-2,7-dione
CID 129750799
2,5,6(1H)-Quinolinetrione
CID 129782960
3-ethyl-1H-quinoline-2,5,8-trione
CID 10856574

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1H-quinoline-2,5,8-trione?
The IUPAC name of 3-methyl-1H-quinoline-2,5,8-trione (CID 101180032) is 3-methyl-1H-quinoline-2,5,8-trione.
What is the SMILES notation for 3-methyl-1H-quinoline-2,5,8-trione?
The canonical SMILES for 3-methyl-1H-quinoline-2,5,8-trione is Cc1cc2c([nH]c1=O)C(=O)C=CC2=O.
What is the InChIKey of 3-methyl-1H-quinoline-2,5,8-trione?
The InChIKey is GYCSAAXPULPHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO3/c1-5-4-6-7(12)2-3-8(13)9(6)11-10(5)14/h2-4H,1H3,(H,11,14).
What are the key properties of 3-methyl-1H-quinoline-2,5,8-trione?
3-methyl-1H-quinoline-2,5,8-trione has a molecular weight of 189.17 g/mol, XLogP of 0.62, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1H-quinoline-2,5,8-trione is sourced from PubChem (CID 101180032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).