5-fluoro-3-methyl-2-[4-[[4-[N-methyl-S-(trifluoromethyl)sulfonimidoyl]phenyl]methyl]phenyl]-1H-quinolin-4-one

C25H20F4N2O2S — CID 155514042

IUPAC5-fluoro-3-methyl-2-[4-[[4-[N-methyl-S-(trifluoromethyl)sulfonimidoyl]phenyl]methyl]phenyl]-1H-quinolin-4-one
SMILESCN=S(=O)(c1ccc(Cc2ccc(-c3[nH]c4cccc(F)c4c(=O)c3C)cc2)cc1)C(F)(F)F
InChIInChI=1S/C25H20F4N2O2S/c1-15-23(31-21-5-3-4-20(26)22(21)24(15)32)18-10-6-16(7-11-18)14-17-8-12-19(13-9-17)34(33,30-2)25(27,28)29/h3-13H,14H2,1-2H3,(H,31,32)
InChIKeyMUVBMCDVMDNLRZ-UHFFFAOYSA-N
MW488.51 g/mol
LogP6.21
Rot. Bonds4

About 5-fluoro-3-methyl-2-[4-[[4-[N-methyl-S-(trifluoromethyl)sulfonimidoyl]phenyl]methyl]phenyl]-1H-quinolin-4-one

5-fluoro-3-methyl-2-[4-[[4-[N-methyl-S-(trifluoromethyl)sulfonimidoyl]phenyl]methyl]phenyl]-1H-quinolin-4-one (PubChem CID 155514042) has the molecular formula C25H20F4N2O2S and a molecular weight of 488.51 g/mol. Its IUPAC name is 5-fluoro-3-methyl-2-[4-[[4-[N-methyl-S-(trifluoromethyl)sulfonimidoyl]phenyl]methyl]phenyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name5-fluoro-3-methyl-2-[4-[[4-[N-methyl-S-(trifluoromethyl)sulfonimidoyl]phenyl]methyl]phenyl]-1H-quinolin-4-one
PubChem CID155514042
Molecular FormulaC25H20F4N2O2S
Molecular Weight488.51 g/mol
Exact Mass488.12
IUPAC Name5-fluoro-3-methyl-2-[4-[[4-[N-methyl-S-(trifluoromethyl)sulfonimidoyl]phenyl]methyl]phenyl]-1H-quinolin-4-one
SMILESCN=S(=O)(c1ccc(Cc2ccc(-c3[nH]c4cccc(F)c4c(=O)c3C)cc2)cc1)C(F)(F)F
InChIInChI=1S/C25H20F4N2O2S/c1-15-23(31-21-5-3-4-20(26)22(21)24(15)32)18-10-6-16(7-11-18)14-17-8-12-19(13-9-17)34(33,30-2)25(27,28)29/h3-13H,14H2,1-2H3,(H,31,32)
InChIKeyMUVBMCDVMDNLRZ-UHFFFAOYSA-N
XLogP6.21
TPSA62.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.51
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-fluoro-3-methyl-2-[4-[[4-[N-methyl-S-(trifluoromethyl)sulfonimidoyl]phenyl]methyl]phenyl]-1H-quinolin-4-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methyl-2-[4-[[4-[N-methyl-S-(trifluoromethyl)sulfonimidoyl]phenyl]methyl]phenyl]-1H-quinolin-4-one?
The IUPAC name of 5-fluoro-3-methyl-2-[4-[[4-[N-methyl-S-(trifluoromethyl)sulfonimidoyl]phenyl]methyl]phenyl]-1H-quinolin-4-one (CID 155514042) is 5-fluoro-3-methyl-2-[4-[[4-[N-methyl-S-(trifluoromethyl)sulfonimidoyl]phenyl]methyl]phenyl]-1H-quinolin-4-one.
What is the SMILES notation for 5-fluoro-3-methyl-2-[4-[[4-[N-methyl-S-(trifluoromethyl)sulfonimidoyl]phenyl]methyl]phenyl]-1H-quinolin-4-one?
The canonical SMILES for 5-fluoro-3-methyl-2-[4-[[4-[N-methyl-S-(trifluoromethyl)sulfonimidoyl]phenyl]methyl]phenyl]-1H-quinolin-4-one is CN=S(=O)(c1ccc(Cc2ccc(-c3[nH]c4cccc(F)c4c(=O)c3C)cc2)cc1)C(F)(F)F.
What is the InChIKey of 5-fluoro-3-methyl-2-[4-[[4-[N-methyl-S-(trifluoromethyl)sulfonimidoyl]phenyl]methyl]phenyl]-1H-quinolin-4-one?
The InChIKey is MUVBMCDVMDNLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F4N2O2S/c1-15-23(31-21-5-3-4-20(26)22(21)24(15)32)18-10-6-16(7-11-18)14-17-8-12-19(13-9-17)34(33,30-2)25(27,28)29/h3-13H,14H2,1-2H3,(H,31,32).
What are the key properties of 5-fluoro-3-methyl-2-[4-[[4-[N-methyl-S-(trifluoromethyl)sulfonimidoyl]phenyl]methyl]phenyl]-1H-quinolin-4-one?
5-fluoro-3-methyl-2-[4-[[4-[N-methyl-S-(trifluoromethyl)sulfonimidoyl]phenyl]methyl]phenyl]-1H-quinolin-4-one has a molecular weight of 488.51 g/mol, XLogP of 6.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methyl-2-[4-[[4-[N-methyl-S-(trifluoromethyl)sulfonimidoyl]phenyl]methyl]phenyl]-1H-quinolin-4-one is sourced from PubChem (CID 155514042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).