1,4-dimethylquinoline-2,5,8-trione

C11H9NO3 — CID 14929519

IUPAC1,4-dimethylquinoline-2,5,8-trione
SMILESCc1cc(=O)n(C)c2c1C(=O)C=CC2=O
InChIInChI=1S/C11H9NO3/c1-6-5-9(15)12(2)11-8(14)4-3-7(13)10(6)11/h3-5H,1-2H3
InChIKeyPWQQNOLPFIDYHD-UHFFFAOYSA-N
MW203.20 g/mol
LogP0.63
Rot. Bonds

About 1,4-dimethylquinoline-2,5,8-trione

1,4-dimethylquinoline-2,5,8-trione (PubChem CID 14929519) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 1,4-dimethylquinoline-2,5,8-trione.

Molecular Properties

Compound Name1,4-dimethylquinoline-2,5,8-trione
PubChem CID14929519
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name1,4-dimethylquinoline-2,5,8-trione
SMILESCc1cc(=O)n(C)c2c1C(=O)C=CC2=O
InChIInChI=1S/C11H9NO3/c1-6-5-9(15)12(2)11-8(14)4-3-7(13)10(6)11/h3-5H,1-2H3
InChIKeyPWQQNOLPFIDYHD-UHFFFAOYSA-N
XLogP0.63
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylquinoline-2,5,8-trione?
The IUPAC name of 1,4-dimethylquinoline-2,5,8-trione (CID 14929519) is 1,4-dimethylquinoline-2,5,8-trione.
What is the SMILES notation for 1,4-dimethylquinoline-2,5,8-trione?
The canonical SMILES for 1,4-dimethylquinoline-2,5,8-trione is Cc1cc(=O)n(C)c2c1C(=O)C=CC2=O.
What is the InChIKey of 1,4-dimethylquinoline-2,5,8-trione?
The InChIKey is PWQQNOLPFIDYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c1-6-5-9(15)12(2)11-8(14)4-3-7(13)10(6)11/h3-5H,1-2H3.
What are the key properties of 1,4-dimethylquinoline-2,5,8-trione?
1,4-dimethylquinoline-2,5,8-trione has a molecular weight of 203.20 g/mol, XLogP of 0.63, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylquinoline-2,5,8-trione is sourced from PubChem (CID 14929519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).