4-methyl-4-phenyl-1-[[1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinolin-6-yl]sulfonyl]imidazolidin-2-one

C21H20F3N3O4S — CID 53377124

IUPAC4-methyl-4-phenyl-1-[[1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinolin-6-yl]sulfonyl]imidazolidin-2-one
SMILESCC1(c2ccccc2)CN(S(=O)(=O)c2ccc3c(c2)CCCN3C(=O)C(F)(F)F)C(=O)N1
InChIInChI=1S/C21H20F3N3O4S/c1-20(15-7-3-2-4-8-15)13-27(19(29)25-20)32(30,31)16-9-10-17-14(12-16)6-5-11-26(17)18(28)21(22,23)24/h2-4,7-10,12H,5-6,11,13H2,1H3,(H,25,29)
InChIKeyFKTBNXFCVQFYNF-UHFFFAOYSA-N
MW467.47 g/mol
LogP3.16
Rot. Bonds3

About 4-methyl-4-phenyl-1-[[1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinolin-6-yl]sulfonyl]imidazolidin-2-one

4-methyl-4-phenyl-1-[[1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinolin-6-yl]sulfonyl]imidazolidin-2-one (PubChem CID 53377124) has the molecular formula C21H20F3N3O4S and a molecular weight of 467.47 g/mol. Its IUPAC name is 4-methyl-4-phenyl-1-[[1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinolin-6-yl]sulfonyl]imidazolidin-2-one.

Molecular Properties

Compound Name4-methyl-4-phenyl-1-[[1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinolin-6-yl]sulfonyl]imidazolidin-2-one
PubChem CID53377124
Molecular FormulaC21H20F3N3O4S
Molecular Weight467.47 g/mol
Exact Mass467.11
IUPAC Name4-methyl-4-phenyl-1-[[1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinolin-6-yl]sulfonyl]imidazolidin-2-one
SMILESCC1(c2ccccc2)CN(S(=O)(=O)c2ccc3c(c2)CCCN3C(=O)C(F)(F)F)C(=O)N1
InChIInChI=1S/C21H20F3N3O4S/c1-20(15-7-3-2-4-8-15)13-27(19(29)25-20)32(30,31)16-9-10-17-14(12-16)6-5-11-26(17)18(28)21(22,23)24/h2-4,7-10,12H,5-6,11,13H2,1H3,(H,25,29)
InChIKeyFKTBNXFCVQFYNF-UHFFFAOYSA-N
XLogP3.16
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.47
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-phenyl-1-[[1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinolin-6-yl]sulfonyl]imidazolidin-2-one?
The IUPAC name of 4-methyl-4-phenyl-1-[[1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinolin-6-yl]sulfonyl]imidazolidin-2-one (CID 53377124) is 4-methyl-4-phenyl-1-[[1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinolin-6-yl]sulfonyl]imidazolidin-2-one.
What is the SMILES notation for 4-methyl-4-phenyl-1-[[1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinolin-6-yl]sulfonyl]imidazolidin-2-one?
The canonical SMILES for 4-methyl-4-phenyl-1-[[1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinolin-6-yl]sulfonyl]imidazolidin-2-one is CC1(c2ccccc2)CN(S(=O)(=O)c2ccc3c(c2)CCCN3C(=O)C(F)(F)F)C(=O)N1.
What is the InChIKey of 4-methyl-4-phenyl-1-[[1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinolin-6-yl]sulfonyl]imidazolidin-2-one?
The InChIKey is FKTBNXFCVQFYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O4S/c1-20(15-7-3-2-4-8-15)13-27(19(29)25-20)32(30,31)16-9-10-17-14(12-16)6-5-11-26(17)18(28)21(22,23)24/h2-4,7-10,12H,5-6,11,13H2,1H3,(H,25,29).
What are the key properties of 4-methyl-4-phenyl-1-[[1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinolin-6-yl]sulfonyl]imidazolidin-2-one?
4-methyl-4-phenyl-1-[[1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinolin-6-yl]sulfonyl]imidazolidin-2-one has a molecular weight of 467.47 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-phenyl-1-[[1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinolin-6-yl]sulfonyl]imidazolidin-2-one is sourced from PubChem (CID 53377124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).