3-Acetylquinoline-2,4(1H,3H)-dione

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Basic information

CAS: 617707-05-8
Standard SMILES: CC(=O)C1C(=O)Nc2ccccc2C1=O
InChIKey: RAQZAKPMLUMLML-UHFFFAOYSA-N
Molecular formula: C11H9NO3
Average molar mass: 203.19 g/mol
Monoisotopic mass: 203.05824315

Names & identifiers

Preferred name: 3-Acetylquinoline-2,4(1H,3H)-dione
IUPAC: 3-acetyl-1H-quinoline-2,4-dione
English name: 3-Acetylquinoline-2,4(1H,3H)-dione
Molecular formula: C11H9NO3
Molecular weight: 203.19

Names & synonyms

3-Acetylquinoline-2,4(1H,3H)-dione617707-05-83-acetyl-1H-quinoline-2,4-dione3-acetyl-1,2,3,4-tetrahydroquinoline-2,4-dione3-acetyl-2-hydSCHEMBL9210797DTXSID30599437AKOS0251174413-acetyl-4-hydroxyquinolin-2(3H)-one3-acetyl-4-hydroxy-2,3-dihydroquinolin-2-oneRS RMA034392,4(1H,3H)-Quinolinedione, 3-acetyl-

Database identifiers

CAS: 617707-05-8
PubChem CID: 19736623
DTXSID: DTXSID30599437

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 63.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 15
Formal charge: 0
Complexity: 324

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Compound notes

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