1-[(3-fluoroquinolin-4-yl)methyl]-4-hydroxy-5-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one

C21H15F4N3O4S — CID 91024131

IUPAC1-[(3-fluoroquinolin-4-yl)methyl]-4-hydroxy-5-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one
SMILESCc1c(O)n(-c2ccc(S(=O)(=O)C(F)(F)F)cc2)c(=O)n1Cc1c(F)cnc2ccccc12
InChIInChI=1S/C21H15F4N3O4S/c1-12-19(29)28(13-6-8-14(9-7-13)33(31,32)21(23,24)25)20(30)27(12)11-16-15-4-2-3-5-18(15)26-10-17(16)22/h2-10,29H,11H2,1H3
InChIKeyJLPMVFXZDNWJJA-UHFFFAOYSA-N
MW481.43 g/mol
LogP3.68
Rot. Bonds4

About 1-[(3-fluoroquinolin-4-yl)methyl]-4-hydroxy-5-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one

1-[(3-fluoroquinolin-4-yl)methyl]-4-hydroxy-5-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one (PubChem CID 91024131) has the molecular formula C21H15F4N3O4S and a molecular weight of 481.43 g/mol. Its IUPAC name is 1-[(3-fluoroquinolin-4-yl)methyl]-4-hydroxy-5-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one.

Molecular Properties

Compound Name1-[(3-fluoroquinolin-4-yl)methyl]-4-hydroxy-5-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one
PubChem CID91024131
Molecular FormulaC21H15F4N3O4S
Molecular Weight481.43 g/mol
Exact Mass481.07
IUPAC Name1-[(3-fluoroquinolin-4-yl)methyl]-4-hydroxy-5-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one
SMILESCc1c(O)n(-c2ccc(S(=O)(=O)C(F)(F)F)cc2)c(=O)n1Cc1c(F)cnc2ccccc12
InChIInChI=1S/C21H15F4N3O4S/c1-12-19(29)28(13-6-8-14(9-7-13)33(31,32)21(23,24)25)20(30)27(12)11-16-15-4-2-3-5-18(15)26-10-17(16)22/h2-10,29H,11H2,1H3
InChIKeyJLPMVFXZDNWJJA-UHFFFAOYSA-N
XLogP3.68
TPSA94.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.43
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(5s)-5-Methyl-1-(Quinolin-4-Ylmethyl)-3-{4-[(Trifluoromethyl)sulfonyl]phenyl}imidazolidine-2,4-Dione
CID 10008365
5,5-Dimethyl-1-(quinolin-4-ylmethyl)-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidine-2,4-dione
CID 11758149
1-((2-Fluoro-5-(6-(2-(methylsulfonyl)propan-2-yl)quinolin-8-yl)phenyl)methyl)-3-isopropyl-1-(4-(methylsulfonyl)phenyl)urea
CID 10196916
3-Isopropyl-1-(4-(methylsulfonyl)phenyl)-1-(1-(3-(6-(2-(methylsulfonyl)propan-2-yl)quinolin-8-yl)phenyl)ethyl)urea
CID 21865599
3-Isopropyl-1-(4-(methylsulfonyl)phenyl)-1-((3-(6-(2-(methylsulfonyl)propan-2-yl)quinolin-8-yl)phenyl)methyl)urea
CID 44410870
(5S)-5-methyl-1-(quinolin-4-ylmethyl)-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione
CID 9984883
(5R)-5-methyl-1-(quinolin-4-ylmethyl)-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidine-2,4-dione
CID 10257575
3-(3,5-Difluorophenyl)sulfonyl-7-fluoro-4-(3-fluorophenyl)quinoline
CID 25167715
3-(3,4-Difluorophenyl)sulfonyl-7-fluoro-4-(4-fluorophenyl)quinoline
CID 25167856
3-[(3,5-Difluorophenyl)sulfonyl]-7-fluoro-4-(4-fluorophenyl)quinoline
CID 25168801
1-Quinolin-4-yl-3-[4-(trifluoromethylsulfanyl)phenyl]urea;hydrochloride
CID 44533406
1-(Quinolin-4-ylmethyl)-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidine-2,4-dione
CID 54581422

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoroquinolin-4-yl)methyl]-4-hydroxy-5-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one?
The IUPAC name of 1-[(3-fluoroquinolin-4-yl)methyl]-4-hydroxy-5-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one (CID 91024131) is 1-[(3-fluoroquinolin-4-yl)methyl]-4-hydroxy-5-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one.
What is the SMILES notation for 1-[(3-fluoroquinolin-4-yl)methyl]-4-hydroxy-5-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one?
The canonical SMILES for 1-[(3-fluoroquinolin-4-yl)methyl]-4-hydroxy-5-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one is Cc1c(O)n(-c2ccc(S(=O)(=O)C(F)(F)F)cc2)c(=O)n1Cc1c(F)cnc2ccccc12.
What is the InChIKey of 1-[(3-fluoroquinolin-4-yl)methyl]-4-hydroxy-5-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one?
The InChIKey is JLPMVFXZDNWJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F4N3O4S/c1-12-19(29)28(13-6-8-14(9-7-13)33(31,32)21(23,24)25)20(30)27(12)11-16-15-4-2-3-5-18(15)26-10-17(16)22/h2-10,29H,11H2,1H3.
What are the key properties of 1-[(3-fluoroquinolin-4-yl)methyl]-4-hydroxy-5-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one?
1-[(3-fluoroquinolin-4-yl)methyl]-4-hydroxy-5-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one has a molecular weight of 481.43 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoroquinolin-4-yl)methyl]-4-hydroxy-5-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one is sourced from PubChem (CID 91024131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).