8-(4-methylsulfonylphenyl)-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one

C24H16F3N3O3S — CID 118087321

IUPAC8-(4-methylsulfonylphenyl)-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one
SMILESCS(=O)(=O)c1ccc(-c2ccc3ncc4[nH]c(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cc1
InChIInChI=1S/C24H16F3N3O3S/c1-34(32,33)18-8-5-14(6-9-18)15-7-10-20-19(11-15)22-21(13-28-20)29-23(31)30(22)17-4-2-3-16(12-17)24(25,26)27/h2-13H,1H3,(H,29,31)
InChIKeyYQNAGRCJHDJDBY-UHFFFAOYSA-N
MW483.47 g/mol
LogP4.96
Rot. Bonds3

About 8-(4-methylsulfonylphenyl)-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one

8-(4-methylsulfonylphenyl)-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one (PubChem CID 118087321) has the molecular formula C24H16F3N3O3S and a molecular weight of 483.47 g/mol. Its IUPAC name is 8-(4-methylsulfonylphenyl)-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-(4-methylsulfonylphenyl)-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one
PubChem CID118087321
Molecular FormulaC24H16F3N3O3S
Molecular Weight483.47 g/mol
Exact Mass483.09
IUPAC Name8-(4-methylsulfonylphenyl)-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one
SMILESCS(=O)(=O)c1ccc(-c2ccc3ncc4[nH]c(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cc1
InChIInChI=1S/C24H16F3N3O3S/c1-34(32,33)18-8-5-14(6-9-18)15-7-10-20-19(11-15)22-21(13-28-20)29-23(31)30(22)17-4-2-3-16(12-17)24(25,26)27/h2-13H,1H3,(H,29,31)
InChIKeyYQNAGRCJHDJDBY-UHFFFAOYSA-N
XLogP4.96
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.47
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(4-methylsulfonylphenyl)-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-(4-methylsulfonylphenyl)-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one (CID 118087321) is 8-(4-methylsulfonylphenyl)-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-(4-methylsulfonylphenyl)-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-(4-methylsulfonylphenyl)-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one is CS(=O)(=O)c1ccc(-c2ccc3ncc4[nH]c(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cc1.
What is the InChIKey of 8-(4-methylsulfonylphenyl)-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one?
The InChIKey is YQNAGRCJHDJDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F3N3O3S/c1-34(32,33)18-8-5-14(6-9-18)15-7-10-20-19(11-15)22-21(13-28-20)29-23(31)30(22)17-4-2-3-16(12-17)24(25,26)27/h2-13H,1H3,(H,29,31).
What are the key properties of 8-(4-methylsulfonylphenyl)-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one?
8-(4-methylsulfonylphenyl)-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one has a molecular weight of 483.47 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methylsulfonylphenyl)-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 118087321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).