8-methoxy-1H-quinoline-2,4-dione

C10H9NO3 — CID 51503980

IUPAC8-methoxy-1H-quinoline-2,4-dione
SMILESCOc1cccc2c1NC(=O)CC2=O
InChIInChI=1S/C10H9NO3/c1-14-8-4-2-3-6-7(12)5-9(13)11-10(6)8/h2-4H,5H2,1H3,(H,11,13)
InChIKeyRTVHGTINVQIECB-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.22
Rot. Bonds1

About 8-methoxy-1H-quinoline-2,4-dione

8-methoxy-1H-quinoline-2,4-dione (PubChem CID 51503980) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 8-methoxy-1H-quinoline-2,4-dione.

Molecular Properties

Compound Name8-methoxy-1H-quinoline-2,4-dione
PubChem CID51503980
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name8-methoxy-1H-quinoline-2,4-dione
SMILESCOc1cccc2c1NC(=O)CC2=O
InChIInChI=1S/C10H9NO3/c1-14-8-4-2-3-6-7(12)5-9(13)11-10(6)8/h2-4H,5H2,1H3,(H,11,13)
InChIKeyRTVHGTINVQIECB-UHFFFAOYSA-N
XLogP1.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 8-methoxy-1H-quinoline-2,4-dione?
The IUPAC name of 8-methoxy-1H-quinoline-2,4-dione (CID 51503980) is 8-methoxy-1H-quinoline-2,4-dione.
What is the SMILES notation for 8-methoxy-1H-quinoline-2,4-dione?
The canonical SMILES for 8-methoxy-1H-quinoline-2,4-dione is COc1cccc2c1NC(=O)CC2=O.
What is the InChIKey of 8-methoxy-1H-quinoline-2,4-dione?
The InChIKey is RTVHGTINVQIECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c1-14-8-4-2-3-6-7(12)5-9(13)11-10(6)8/h2-4H,5H2,1H3,(H,11,13).
What are the key properties of 8-methoxy-1H-quinoline-2,4-dione?
8-methoxy-1H-quinoline-2,4-dione has a molecular weight of 191.19 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-1H-quinoline-2,4-dione is sourced from PubChem (CID 51503980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).