6,8,9-trifluoro-3-methylbenzo[g]isoquinoline-5,10-dione

C14H6F3NO2 — CID 100960275

IUPAC6,8,9-trifluoro-3-methylbenzo[g]isoquinoline-5,10-dione
SMILESCc1cc2c(cn1)C(=O)c1c(F)c(F)cc(F)c1C2=O
InChIInChI=1S/C14H6F3NO2/c1-5-2-6-7(4-18-5)14(20)11-10(13(6)19)8(15)3-9(16)12(11)17/h2-4H,1H3
InChIKeyINPUFUNDLPJWDZ-UHFFFAOYSA-N
MW277.20 g/mol
LogP2.58
Rot. Bonds

About 6,8,9-trifluoro-3-methylbenzo[g]isoquinoline-5,10-dione

6,8,9-trifluoro-3-methylbenzo[g]isoquinoline-5,10-dione (PubChem CID 100960275) has the molecular formula C14H6F3NO2 and a molecular weight of 277.20 g/mol. Its IUPAC name is 6,8,9-trifluoro-3-methylbenzo[g]isoquinoline-5,10-dione.

Molecular Properties

Compound Name6,8,9-trifluoro-3-methylbenzo[g]isoquinoline-5,10-dione
PubChem CID100960275
Molecular FormulaC14H6F3NO2
Molecular Weight277.20 g/mol
Exact Mass277.04
IUPAC Name6,8,9-trifluoro-3-methylbenzo[g]isoquinoline-5,10-dione
SMILESCc1cc2c(cn1)C(=O)c1c(F)c(F)cc(F)c1C2=O
InChIInChI=1S/C14H6F3NO2/c1-5-2-6-7(4-18-5)14(20)11-10(13(6)19)8(15)3-9(16)12(11)17/h2-4H,1H3
InChIKeyINPUFUNDLPJWDZ-UHFFFAOYSA-N
XLogP2.58
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.20
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 6,8,9-trifluoro-3-methylbenzo[g]isoquinoline-5,10-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7,8-difluoro-3-methylisoquinoline
CID 169499830
4,6,7-trifluoro-1H-indole-2,3-dione
CID 62811095
6,7-difluoro-3-methylisoquinoline
CID 20616781
5,8-difluoro-9,10-dioxoanthracene-2-carboxylic acid
CID 135305382
4-bromo-5-fluoro-2-methylpyridine;hydrobromide
CID 170998578
N-(5-fluoro-2-methyl-4-pyridinyl)ethanesulfonamide
CID 122482905
3-fluoro-4-methylbenzo[g]quinoline-5,10-dione
CID 19701080
[5-chloro-2-(5-fluoro-2-methyl-4-pyridinyl)phenyl]methanol
CID 134530894
2-[2-(3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ylidene)-4,6,7-trifluoro-3-oxoinden-1-ylidene]propanedinitrile
CID 174300189
4-methyl-5-(2,4,5-trifluorophenyl)pyridin-2-amine
CID 115503101
2,5-dimethylpyrazine;hydrochloride
CID 160725136
3-methyl-5-(2,3,4,5-tetrafluorophenyl)pyrazol-1-ide
CID 140780339

Frequently Asked Questions

What is the IUPAC name of 6,8,9-trifluoro-3-methylbenzo[g]isoquinoline-5,10-dione?
The IUPAC name of 6,8,9-trifluoro-3-methylbenzo[g]isoquinoline-5,10-dione (CID 100960275) is 6,8,9-trifluoro-3-methylbenzo[g]isoquinoline-5,10-dione.
What is the SMILES notation for 6,8,9-trifluoro-3-methylbenzo[g]isoquinoline-5,10-dione?
The canonical SMILES for 6,8,9-trifluoro-3-methylbenzo[g]isoquinoline-5,10-dione is Cc1cc2c(cn1)C(=O)c1c(F)c(F)cc(F)c1C2=O.
What is the InChIKey of 6,8,9-trifluoro-3-methylbenzo[g]isoquinoline-5,10-dione?
The InChIKey is INPUFUNDLPJWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6F3NO2/c1-5-2-6-7(4-18-5)14(20)11-10(13(6)19)8(15)3-9(16)12(11)17/h2-4H,1H3.
What are the key properties of 6,8,9-trifluoro-3-methylbenzo[g]isoquinoline-5,10-dione?
6,8,9-trifluoro-3-methylbenzo[g]isoquinoline-5,10-dione has a molecular weight of 277.20 g/mol, XLogP of 2.58, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8,9-trifluoro-3-methylbenzo[g]isoquinoline-5,10-dione is sourced from PubChem (CID 100960275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).