7-methoxy-2-methyl-4H-isoquinoline-1,3-dione

C11H11NO3 — CID 2857804

IUPAC7-methoxy-2-methyl-4H-isoquinoline-1,3-dione
SMILESCOc1ccc2c(c1)C(=O)N(C)C(=O)C2
InChIInChI=1S/C11H11NO3/c1-12-10(13)5-7-3-4-8(15-2)6-9(7)11(12)14/h3-4,6H,5H2,1-2H3
InChIKeyUIGMNNLXBUDHQO-UHFFFAOYSA-N
MW205.21 g/mol
LogP0.85
Rot. Bonds1

About 7-methoxy-2-methyl-4H-isoquinoline-1,3-dione

7-methoxy-2-methyl-4H-isoquinoline-1,3-dione (PubChem CID 2857804) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 7-methoxy-2-methyl-4H-isoquinoline-1,3-dione.

Molecular Properties

Compound Name7-methoxy-2-methyl-4H-isoquinoline-1,3-dione
PubChem CID2857804
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name7-methoxy-2-methyl-4H-isoquinoline-1,3-dione
SMILESCOc1ccc2c(c1)C(=O)N(C)C(=O)C2
InChIInChI=1S/C11H11NO3/c1-12-10(13)5-7-3-4-8(15-2)6-9(7)11(12)14/h3-4,6H,5H2,1-2H3
InChIKeyUIGMNNLXBUDHQO-UHFFFAOYSA-N
XLogP0.85
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-methyl-4H-isoquinoline-1,3-dione?
The IUPAC name of 7-methoxy-2-methyl-4H-isoquinoline-1,3-dione (CID 2857804) is 7-methoxy-2-methyl-4H-isoquinoline-1,3-dione.
What is the SMILES notation for 7-methoxy-2-methyl-4H-isoquinoline-1,3-dione?
The canonical SMILES for 7-methoxy-2-methyl-4H-isoquinoline-1,3-dione is COc1ccc2c(c1)C(=O)N(C)C(=O)C2.
What is the InChIKey of 7-methoxy-2-methyl-4H-isoquinoline-1,3-dione?
The InChIKey is UIGMNNLXBUDHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-12-10(13)5-7-3-4-8(15-2)6-9(7)11(12)14/h3-4,6H,5H2,1-2H3.
What are the key properties of 7-methoxy-2-methyl-4H-isoquinoline-1,3-dione?
7-methoxy-2-methyl-4H-isoquinoline-1,3-dione has a molecular weight of 205.21 g/mol, XLogP of 0.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-methyl-4H-isoquinoline-1,3-dione is sourced from PubChem (CID 2857804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).