1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,2'-pyrrolidine]-2-one

C20H19F3N2O — CID 118740606

IUPAC1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,2'-pyrrolidine]-2-one
SMILESO=C1Nc2ccccc2CC12CCCN2Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H19F3N2O/c21-20(22,23)16-8-6-14(7-9-16)13-25-11-3-10-19(25)12-15-4-1-2-5-17(15)24-18(19)26/h1-2,4-9H,3,10-13H2,(H,24,26)
InChIKeyVEGOYTKRNJZKLS-UHFFFAOYSA-N
MW360.38 g/mol
LogP4.23
Rot. Bonds2

About 1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,2'-pyrrolidine]-2-one

1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,2'-pyrrolidine]-2-one (PubChem CID 118740606) has the molecular formula C20H19F3N2O and a molecular weight of 360.38 g/mol. Its IUPAC name is 1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,2'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,2'-pyrrolidine]-2-one
PubChem CID118740606
Molecular FormulaC20H19F3N2O
Molecular Weight360.38 g/mol
Exact Mass360.14
IUPAC Name1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,2'-pyrrolidine]-2-one
SMILESO=C1Nc2ccccc2CC12CCCN2Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H19F3N2O/c21-20(22,23)16-8-6-14(7-9-16)13-25-11-3-10-19(25)12-15-4-1-2-5-17(15)24-18(19)26/h1-2,4-9H,3,10-13H2,(H,24,26)
InChIKeyVEGOYTKRNJZKLS-UHFFFAOYSA-N
XLogP4.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,2'-pyrrolidine]-2-one?
The IUPAC name of 1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,2'-pyrrolidine]-2-one (CID 118740606) is 1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,2'-pyrrolidine]-2-one.
What is the SMILES notation for 1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,2'-pyrrolidine]-2-one?
The canonical SMILES for 1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,2'-pyrrolidine]-2-one is O=C1Nc2ccccc2CC12CCCN2Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,2'-pyrrolidine]-2-one?
The InChIKey is VEGOYTKRNJZKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O/c21-20(22,23)16-8-6-14(7-9-16)13-25-11-3-10-19(25)12-15-4-1-2-5-17(15)24-18(19)26/h1-2,4-9H,3,10-13H2,(H,24,26).
What are the key properties of 1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,2'-pyrrolidine]-2-one?
1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,2'-pyrrolidine]-2-one has a molecular weight of 360.38 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,2'-pyrrolidine]-2-one is sourced from PubChem (CID 118740606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).