9-methoxy-3,8-dimethylimidazo[5,1-a]isoquinoline-7,10-dione

C14H12N2O3 — CID 11859071

IUPAC9-methoxy-3,8-dimethylimidazo[5,1-a]isoquinoline-7,10-dione
SMILESCOC1=C(C)C(=O)c2ccn3c(C)ncc3c2C1=O
InChIInChI=1S/C14H12N2O3/c1-7-12(17)9-4-5-16-8(2)15-6-10(16)11(9)13(18)14(7)19-3/h4-6H,1-3H3
InChIKeyQLEWSFDAEOCUAV-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.94
Rot. Bonds1

About 9-methoxy-3,8-dimethylimidazo[5,1-a]isoquinoline-7,10-dione

9-methoxy-3,8-dimethylimidazo[5,1-a]isoquinoline-7,10-dione (PubChem CID 11859071) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 9-methoxy-3,8-dimethylimidazo[5,1-a]isoquinoline-7,10-dione.

Molecular Properties

Compound Name9-methoxy-3,8-dimethylimidazo[5,1-a]isoquinoline-7,10-dione
PubChem CID11859071
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name9-methoxy-3,8-dimethylimidazo[5,1-a]isoquinoline-7,10-dione
SMILESCOC1=C(C)C(=O)c2ccn3c(C)ncc3c2C1=O
InChIInChI=1S/C14H12N2O3/c1-7-12(17)9-4-5-16-8(2)15-6-10(16)11(9)13(18)14(7)19-3/h4-6H,1-3H3
InChIKeyQLEWSFDAEOCUAV-UHFFFAOYSA-N
XLogP1.94
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-methoxy-3,8-dimethylimidazo[5,1-a]isoquinoline-7,10-dione?
The IUPAC name of 9-methoxy-3,8-dimethylimidazo[5,1-a]isoquinoline-7,10-dione (CID 11859071) is 9-methoxy-3,8-dimethylimidazo[5,1-a]isoquinoline-7,10-dione.
What is the SMILES notation for 9-methoxy-3,8-dimethylimidazo[5,1-a]isoquinoline-7,10-dione?
The canonical SMILES for 9-methoxy-3,8-dimethylimidazo[5,1-a]isoquinoline-7,10-dione is COC1=C(C)C(=O)c2ccn3c(C)ncc3c2C1=O.
What is the InChIKey of 9-methoxy-3,8-dimethylimidazo[5,1-a]isoquinoline-7,10-dione?
The InChIKey is QLEWSFDAEOCUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c1-7-12(17)9-4-5-16-8(2)15-6-10(16)11(9)13(18)14(7)19-3/h4-6H,1-3H3.
What are the key properties of 9-methoxy-3,8-dimethylimidazo[5,1-a]isoquinoline-7,10-dione?
9-methoxy-3,8-dimethylimidazo[5,1-a]isoquinoline-7,10-dione has a molecular weight of 256.26 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-3,8-dimethylimidazo[5,1-a]isoquinoline-7,10-dione is sourced from PubChem (CID 11859071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).