4-[3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]benzenesulfonamide

C24H17F3N4O3S — CID 127045644

IUPAC4-[3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]benzenesulfonamide
SMILESCn1c(=O)n(-c2cccc(C(F)(F)F)c2)c2c3cc(-c4ccc(S(N)(=O)=O)cc4)ccc3ncc21
InChIInChI=1S/C24H17F3N4O3S/c1-30-21-13-29-20-10-7-15(14-5-8-18(9-6-14)35(28,33)34)11-19(20)22(21)31(23(30)32)17-4-2-3-16(12-17)24(25,26)27/h2-13H,1H3,(H2,28,33,34)
InChIKeyVRXKAZXSKLKDIK-UHFFFAOYSA-N
MW498.49 g/mol
LogP4.21
Rot. Bonds3

About 4-[3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]benzenesulfonamide

4-[3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]benzenesulfonamide (PubChem CID 127045644) has the molecular formula C24H17F3N4O3S and a molecular weight of 498.49 g/mol. Its IUPAC name is 4-[3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]benzenesulfonamide
PubChem CID127045644
Molecular FormulaC24H17F3N4O3S
Molecular Weight498.49 g/mol
Exact Mass498.10
IUPAC Name4-[3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]benzenesulfonamide
SMILESCn1c(=O)n(-c2cccc(C(F)(F)F)c2)c2c3cc(-c4ccc(S(N)(=O)=O)cc4)ccc3ncc21
InChIInChI=1S/C24H17F3N4O3S/c1-30-21-13-29-20-10-7-15(14-5-8-18(9-6-14)35(28,33)34)11-19(20)22(21)31(23(30)32)17-4-2-3-16(12-17)24(25,26)27/h2-13H,1H3,(H2,28,33,34)
InChIKeyVRXKAZXSKLKDIK-UHFFFAOYSA-N
XLogP4.21
TPSA99.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.49
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]benzonitrile
CID 127048030
N-[5-[3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]prop-2-enamide
CID 71554638
8-[5-(2-fluoroethoxy)-6-methyl-3-pyridinyl]-3-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one
CID 71553672
8-phenyl-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one
CID 127047610
9-(6-amino-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one
CID 51358113
4-methylbenzenesulfonic acid;3-methyl-1-naphthalen-2-yl-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one
CID 87185338
8-[6-amino-5-(hydroxymethyl)-3-pyridinyl]-3-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one
CID 91232152
8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 57344810
1-(1,3-dimethylpyrazol-4-yl)-8-[3-hydroxy-5-(trifluoromethyl)phenyl]-3-methylimidazo[4,5-c]quinolin-2-one
CID 59619818
9-(2-oxo-1,3-dihydroinden-5-yl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one
CID 164965689
9-(6-isocyano-3-pyridinyl)-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 140686185
4-[3-methyl-1-[4-(1-methylsulfonylcyclopropyl)phenyl]-2-oxoimidazo[4,5-c]quinolin-8-yl]benzonitrile
CID 71565711

Frequently Asked Questions

What is the IUPAC name of 4-[3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]benzenesulfonamide?
The IUPAC name of 4-[3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]benzenesulfonamide (CID 127045644) is 4-[3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]benzenesulfonamide is Cn1c(=O)n(-c2cccc(C(F)(F)F)c2)c2c3cc(-c4ccc(S(N)(=O)=O)cc4)ccc3ncc21.
What is the InChIKey of 4-[3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]benzenesulfonamide?
The InChIKey is VRXKAZXSKLKDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N4O3S/c1-30-21-13-29-20-10-7-15(14-5-8-18(9-6-14)35(28,33)34)11-19(20)22(21)31(23(30)32)17-4-2-3-16(12-17)24(25,26)27/h2-13H,1H3,(H2,28,33,34).
What are the key properties of 4-[3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]benzenesulfonamide?
4-[3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]benzenesulfonamide has a molecular weight of 498.49 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]benzenesulfonamide is sourced from PubChem (CID 127045644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).