3-fluoro-4-methylbenzo[g]quinoline-5,10-dione

C14H8FNO2 — CID 19701080

IUPAC3-fluoro-4-methylbenzo[g]quinoline-5,10-dione
SMILESCc1c(F)cnc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C14H8FNO2/c1-7-10(15)6-16-12-11(7)13(17)8-4-2-3-5-9(8)14(12)18/h2-6H,1H3
InChIKeyUCHXKDLGRCCZBN-UHFFFAOYSA-N
MW241.22 g/mol
LogP2.30
Rot. Bonds

About 3-fluoro-4-methylbenzo[g]quinoline-5,10-dione

3-fluoro-4-methylbenzo[g]quinoline-5,10-dione (PubChem CID 19701080) has the molecular formula C14H8FNO2 and a molecular weight of 241.22 g/mol. Its IUPAC name is 3-fluoro-4-methylbenzo[g]quinoline-5,10-dione.

Molecular Properties

Compound Name3-fluoro-4-methylbenzo[g]quinoline-5,10-dione
PubChem CID19701080
Molecular FormulaC14H8FNO2
Molecular Weight241.22 g/mol
Exact Mass241.05
IUPAC Name3-fluoro-4-methylbenzo[g]quinoline-5,10-dione
SMILESCc1c(F)cnc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C14H8FNO2/c1-7-10(15)6-16-12-11(7)13(17)8-4-2-3-5-9(8)14(12)18/h2-6H,1H3
InChIKeyUCHXKDLGRCCZBN-UHFFFAOYSA-N
XLogP2.30
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3-fluoro-4-methylbenzo[g]quinoline-5,10-dione?
The IUPAC name of 3-fluoro-4-methylbenzo[g]quinoline-5,10-dione (CID 19701080) is 3-fluoro-4-methylbenzo[g]quinoline-5,10-dione.
What is the SMILES notation for 3-fluoro-4-methylbenzo[g]quinoline-5,10-dione?
The canonical SMILES for 3-fluoro-4-methylbenzo[g]quinoline-5,10-dione is Cc1c(F)cnc2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of 3-fluoro-4-methylbenzo[g]quinoline-5,10-dione?
The InChIKey is UCHXKDLGRCCZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FNO2/c1-7-10(15)6-16-12-11(7)13(17)8-4-2-3-5-9(8)14(12)18/h2-6H,1H3.
What are the key properties of 3-fluoro-4-methylbenzo[g]quinoline-5,10-dione?
3-fluoro-4-methylbenzo[g]quinoline-5,10-dione has a molecular weight of 241.22 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methylbenzo[g]quinoline-5,10-dione is sourced from PubChem (CID 19701080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).