6-methoxy-2-methylbenzo[de]isoquinoline-1,3-dione

C14H11NO3 — CID 18640

IUPAC6-methoxy-2-methylbenzo[de]isoquinoline-1,3-dione
SMILESCOc1ccc2c3c(cccc13)C(=O)N(C)C2=O
InChIInChI=1S/C14H11NO3/c1-15-13(16)9-5-3-4-8-11(18-2)7-6-10(12(8)9)14(15)17/h3-7H,1-2H3
InChIKeyCNUWYNDMLFVRBU-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.07
Rot. Bonds1

About 6-methoxy-2-methylbenzo[de]isoquinoline-1,3-dione

6-methoxy-2-methylbenzo[de]isoquinoline-1,3-dione (PubChem CID 18640) has the molecular formula C14H11NO3 and a molecular weight of 241.25 g/mol. Its IUPAC name is 6-methoxy-2-methylbenzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name6-methoxy-2-methylbenzo[de]isoquinoline-1,3-dione
PubChem CID18640
Molecular FormulaC14H11NO3
Molecular Weight241.25 g/mol
Exact Mass241.07
IUPAC Name6-methoxy-2-methylbenzo[de]isoquinoline-1,3-dione
SMILESCOc1ccc2c3c(cccc13)C(=O)N(C)C2=O
InChIInChI=1S/C14H11NO3/c1-15-13(16)9-5-3-4-8-11(18-2)7-6-10(12(8)9)14(15)17/h3-7H,1-2H3
InChIKeyCNUWYNDMLFVRBU-UHFFFAOYSA-N
XLogP2.07
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.07
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 6-methoxy-2-methylbenzo[de]isoquinoline-1,3-dione?
The IUPAC name of 6-methoxy-2-methylbenzo[de]isoquinoline-1,3-dione (CID 18640) is 6-methoxy-2-methylbenzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 6-methoxy-2-methylbenzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 6-methoxy-2-methylbenzo[de]isoquinoline-1,3-dione is COc1ccc2c3c(cccc13)C(=O)N(C)C2=O.
What is the InChIKey of 6-methoxy-2-methylbenzo[de]isoquinoline-1,3-dione?
The InChIKey is CNUWYNDMLFVRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3/c1-15-13(16)9-5-3-4-8-11(18-2)7-6-10(12(8)9)14(15)17/h3-7H,1-2H3.
What are the key properties of 6-methoxy-2-methylbenzo[de]isoquinoline-1,3-dione?
6-methoxy-2-methylbenzo[de]isoquinoline-1,3-dione has a molecular weight of 241.25 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methylbenzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 18640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).