6-fluoro-9-methoxybenzo[g]isoquinoline-5,10-dione

C14H8FNO3 — CID 10706275

IUPAC6-fluoro-9-methoxybenzo[g]isoquinoline-5,10-dione
SMILESCOc1ccc(F)c2c1C(=O)c1cnccc1C2=O
InChIInChI=1S/C14H8FNO3/c1-19-10-3-2-9(15)11-12(10)14(18)8-6-16-5-4-7(8)13(11)17/h2-6H,1H3
InChIKeyWTAWIIJGPBGCCW-UHFFFAOYSA-N
MW257.22 g/mol
LogP2.00
Rot. Bonds1

About 6-fluoro-9-methoxybenzo[g]isoquinoline-5,10-dione

6-fluoro-9-methoxybenzo[g]isoquinoline-5,10-dione (PubChem CID 10706275) has the molecular formula C14H8FNO3 and a molecular weight of 257.22 g/mol. Its IUPAC name is 6-fluoro-9-methoxybenzo[g]isoquinoline-5,10-dione.

Molecular Properties

Compound Name6-fluoro-9-methoxybenzo[g]isoquinoline-5,10-dione
PubChem CID10706275
Molecular FormulaC14H8FNO3
Molecular Weight257.22 g/mol
Exact Mass257.05
IUPAC Name6-fluoro-9-methoxybenzo[g]isoquinoline-5,10-dione
SMILESCOc1ccc(F)c2c1C(=O)c1cnccc1C2=O
InChIInChI=1S/C14H8FNO3/c1-19-10-3-2-9(15)11-12(10)14(18)8-6-16-5-4-7(8)13(11)17/h2-6H,1H3
InChIKeyWTAWIIJGPBGCCW-UHFFFAOYSA-N
XLogP2.00
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 6-fluoro-9-methoxybenzo[g]isoquinoline-5,10-dione?
The IUPAC name of 6-fluoro-9-methoxybenzo[g]isoquinoline-5,10-dione (CID 10706275) is 6-fluoro-9-methoxybenzo[g]isoquinoline-5,10-dione.
What is the SMILES notation for 6-fluoro-9-methoxybenzo[g]isoquinoline-5,10-dione?
The canonical SMILES for 6-fluoro-9-methoxybenzo[g]isoquinoline-5,10-dione is COc1ccc(F)c2c1C(=O)c1cnccc1C2=O.
What is the InChIKey of 6-fluoro-9-methoxybenzo[g]isoquinoline-5,10-dione?
The InChIKey is WTAWIIJGPBGCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FNO3/c1-19-10-3-2-9(15)11-12(10)14(18)8-6-16-5-4-7(8)13(11)17/h2-6H,1H3.
What are the key properties of 6-fluoro-9-methoxybenzo[g]isoquinoline-5,10-dione?
6-fluoro-9-methoxybenzo[g]isoquinoline-5,10-dione has a molecular weight of 257.22 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-9-methoxybenzo[g]isoquinoline-5,10-dione is sourced from PubChem (CID 10706275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).