7-methylsulfanyl-6-[2-(trifluoromethylsulfanyl)phenyl]iminoquinoline-5,8-dione

C17H11F3N2O2S2 — CID 57316978

IUPAC7-methylsulfanyl-6-[2-(trifluoromethylsulfanyl)phenyl]iminoquinoline-5,8-dione
SMILESCSC1C(=O)c2ncccc2C(=O)/C1=N/c1ccccc1SC(F)(F)F
InChIInChI=1S/C17H11F3N2O2S2/c1-25-16-13(14(23)9-5-4-8-21-12(9)15(16)24)22-10-6-2-3-7-11(10)26-17(18,19)20/h2-8,16H,1H3/b22-13-
InChIKeyYMTJWHNGHKFHJS-XKZIYDEJSA-N
MW396.42 g/mol
LogP4.58
Rot. Bonds3

About 7-methylsulfanyl-6-[2-(trifluoromethylsulfanyl)phenyl]iminoquinoline-5,8-dione

7-methylsulfanyl-6-[2-(trifluoromethylsulfanyl)phenyl]iminoquinoline-5,8-dione (PubChem CID 57316978) has the molecular formula C17H11F3N2O2S2 and a molecular weight of 396.42 g/mol. Its IUPAC name is 7-methylsulfanyl-6-[2-(trifluoromethylsulfanyl)phenyl]iminoquinoline-5,8-dione.

Molecular Properties

Compound Name7-methylsulfanyl-6-[2-(trifluoromethylsulfanyl)phenyl]iminoquinoline-5,8-dione
PubChem CID57316978
Molecular FormulaC17H11F3N2O2S2
Molecular Weight396.42 g/mol
Exact Mass396.02
IUPAC Name7-methylsulfanyl-6-[2-(trifluoromethylsulfanyl)phenyl]iminoquinoline-5,8-dione
SMILESCSC1C(=O)c2ncccc2C(=O)/C1=N/c1ccccc1SC(F)(F)F
InChIInChI=1S/C17H11F3N2O2S2/c1-25-16-13(14(23)9-5-4-8-21-12(9)15(16)24)22-10-6-2-3-7-11(10)26-17(18,19)20/h2-8,16H,1H3/b22-13-
InChIKeyYMTJWHNGHKFHJS-XKZIYDEJSA-N
XLogP4.58
TPSA59.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 7-methylsulfanyl-6-[2-(trifluoromethylsulfanyl)phenyl]iminoquinoline-5,8-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-chloro-6-(2-fluoroethylimino)quinoline-5,8-dione
CID 123611354
N-methyl-3-(trifluoromethylsulfanyl)pyridin-2-amine
CID 133058074
6,7-bis[(2-fluorophenyl)sulfanyl]quinoline-5,8-dione
CID 5279437
1,2-bis(trifluoromethylsulfanyl)benzene
CID 90684724
4,7-phenanthroline-5,6-dione
CID 6764
2-(bromomethyl)-3-(trifluoromethylsulfanyl)pyridine
CID 133054613
2-ethoxy-3-(trifluoromethylsulfanyl)pyridine
CID 133057907
1-ethylsulfonyl-2-(trifluoromethylsulfanyl)benzene
CID 174902418
2-(3-ethylsulfanyl-2-pyridinyl)-5-(trifluoromethylsulfanyl)benzoic acid
CID 150601474
1-tert-butyl-2-(trifluoromethylsulfanyl)benzene
CID 58989932
anthracene-9,10-dione;2-methylpyridine;hydrobromide
CID 67625699
phenanthro[9,10-g]quinoline-9,14-dione
CID 71437214

Frequently Asked Questions

What is the IUPAC name of 7-methylsulfanyl-6-[2-(trifluoromethylsulfanyl)phenyl]iminoquinoline-5,8-dione?
The IUPAC name of 7-methylsulfanyl-6-[2-(trifluoromethylsulfanyl)phenyl]iminoquinoline-5,8-dione (CID 57316978) is 7-methylsulfanyl-6-[2-(trifluoromethylsulfanyl)phenyl]iminoquinoline-5,8-dione.
What is the SMILES notation for 7-methylsulfanyl-6-[2-(trifluoromethylsulfanyl)phenyl]iminoquinoline-5,8-dione?
The canonical SMILES for 7-methylsulfanyl-6-[2-(trifluoromethylsulfanyl)phenyl]iminoquinoline-5,8-dione is CSC1C(=O)c2ncccc2C(=O)/C1=N/c1ccccc1SC(F)(F)F.
What is the InChIKey of 7-methylsulfanyl-6-[2-(trifluoromethylsulfanyl)phenyl]iminoquinoline-5,8-dione?
The InChIKey is YMTJWHNGHKFHJS-XKZIYDEJSA-N. The full InChI is InChI=1S/C17H11F3N2O2S2/c1-25-16-13(14(23)9-5-4-8-21-12(9)15(16)24)22-10-6-2-3-7-11(10)26-17(18,19)20/h2-8,16H,1H3/b22-13-.
What are the key properties of 7-methylsulfanyl-6-[2-(trifluoromethylsulfanyl)phenyl]iminoquinoline-5,8-dione?
7-methylsulfanyl-6-[2-(trifluoromethylsulfanyl)phenyl]iminoquinoline-5,8-dione has a molecular weight of 396.42 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylsulfanyl-6-[2-(trifluoromethylsulfanyl)phenyl]iminoquinoline-5,8-dione is sourced from PubChem (CID 57316978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).