1,4-dimethyl-8H-quinoline-2,7-dione

C11H11NO2 — CID 19829051

IUPAC1,4-dimethyl-8H-quinoline-2,7-dione
SMILESCc1cc(=O)n(C)c2c1C=CC(=O)C2
InChIInChI=1S/C11H11NO2/c1-7-5-11(14)12(2)10-6-8(13)3-4-9(7)10/h3-5H,6H2,1-2H3
InChIKeyPJFSEWNJSZIXSE-UHFFFAOYSA-N
MW189.21 g/mol
LogP0.83
Rot. Bonds

About 1,4-dimethyl-8H-quinoline-2,7-dione

1,4-dimethyl-8H-quinoline-2,7-dione (PubChem CID 19829051) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 1,4-dimethyl-8H-quinoline-2,7-dione.

Molecular Properties

Compound Name1,4-dimethyl-8H-quinoline-2,7-dione
PubChem CID19829051
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name1,4-dimethyl-8H-quinoline-2,7-dione
SMILESCc1cc(=O)n(C)c2c1C=CC(=O)C2
InChIInChI=1S/C11H11NO2/c1-7-5-11(14)12(2)10-6-8(13)3-4-9(7)10/h3-5H,6H2,1-2H3
InChIKeyPJFSEWNJSZIXSE-UHFFFAOYSA-N
XLogP0.83
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-8H-quinoline-2,7-dione?
The IUPAC name of 1,4-dimethyl-8H-quinoline-2,7-dione (CID 19829051) is 1,4-dimethyl-8H-quinoline-2,7-dione.
What is the SMILES notation for 1,4-dimethyl-8H-quinoline-2,7-dione?
The canonical SMILES for 1,4-dimethyl-8H-quinoline-2,7-dione is Cc1cc(=O)n(C)c2c1C=CC(=O)C2.
What is the InChIKey of 1,4-dimethyl-8H-quinoline-2,7-dione?
The InChIKey is PJFSEWNJSZIXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-7-5-11(14)12(2)10-6-8(13)3-4-9(7)10/h3-5H,6H2,1-2H3.
What are the key properties of 1,4-dimethyl-8H-quinoline-2,7-dione?
1,4-dimethyl-8H-quinoline-2,7-dione has a molecular weight of 189.21 g/mol, XLogP of 0.83, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-8H-quinoline-2,7-dione is sourced from PubChem (CID 19829051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).