5-methyl-1H-quinoline-2,4-dione

C10H9NO2 — CID 131700013

IUPAC5-methyl-1H-quinoline-2,4-dione
SMILESCc1cccc2c1C(=O)CC(=O)N2
InChIInChI=1S/C10H9NO2/c1-6-3-2-4-7-10(6)8(12)5-9(13)11-7/h2-4H,5H2,1H3,(H,11,13)
InChIKeySERLBGBMESPVNT-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.52
Rot. Bonds

About 5-methyl-1H-quinoline-2,4-dione

5-methyl-1H-quinoline-2,4-dione (PubChem CID 131700013) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 5-methyl-1H-quinoline-2,4-dione.

Molecular Properties

Compound Name5-methyl-1H-quinoline-2,4-dione
PubChem CID131700013
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name5-methyl-1H-quinoline-2,4-dione
SMILESCc1cccc2c1C(=O)CC(=O)N2
InChIInChI=1S/C10H9NO2/c1-6-3-2-4-7-10(6)8(12)5-9(13)11-7/h2-4H,5H2,1H3,(H,11,13)
InChIKeySERLBGBMESPVNT-UHFFFAOYSA-N
XLogP1.52
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1H-quinoline-2,4-dione?
The IUPAC name of 5-methyl-1H-quinoline-2,4-dione (CID 131700013) is 5-methyl-1H-quinoline-2,4-dione.
What is the SMILES notation for 5-methyl-1H-quinoline-2,4-dione?
The canonical SMILES for 5-methyl-1H-quinoline-2,4-dione is Cc1cccc2c1C(=O)CC(=O)N2.
What is the InChIKey of 5-methyl-1H-quinoline-2,4-dione?
The InChIKey is SERLBGBMESPVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c1-6-3-2-4-7-10(6)8(12)5-9(13)11-7/h2-4H,5H2,1H3,(H,11,13).
What are the key properties of 5-methyl-1H-quinoline-2,4-dione?
5-methyl-1H-quinoline-2,4-dione has a molecular weight of 175.19 g/mol, XLogP of 1.52, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1H-quinoline-2,4-dione is sourced from PubChem (CID 131700013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).