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

C20H19F3N2O2 — CID 134791826

IUPAC1'-[[4-(trifluoromethoxy)phenyl]methyl]spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-2-one
SMILESO=C1Nc2ccccc2CC12CCN(Cc1ccc(OC(F)(F)F)cc1)C2
InChIInChI=1S/C20H19F3N2O2/c21-20(22,23)27-16-7-5-14(6-8-16)12-25-10-9-19(13-25)11-15-3-1-2-4-17(15)24-18(19)26/h1-8H,9-13H2,(H,24,26)
InChIKeyGMMWPCSRLFLUME-UHFFFAOYSA-N
MW376.38 g/mol
LogP3.97
Rot. Bonds3

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

1'-[[4-(trifluoromethoxy)phenyl]methyl]spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-2-one (PubChem CID 134791826) has the molecular formula C20H19F3N2O2 and a molecular weight of 376.38 g/mol. Its IUPAC name is 1'-[[4-(trifluoromethoxy)phenyl]methyl]spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1'-[[4-(trifluoromethoxy)phenyl]methyl]spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-2-one
PubChem CID134791826
Molecular FormulaC20H19F3N2O2
Molecular Weight376.38 g/mol
Exact Mass376.14
IUPAC Name1'-[[4-(trifluoromethoxy)phenyl]methyl]spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-2-one
SMILESO=C1Nc2ccccc2CC12CCN(Cc1ccc(OC(F)(F)F)cc1)C2
InChIInChI=1S/C20H19F3N2O2/c21-20(22,23)27-16-7-5-14(6-8-16)12-25-10-9-19(13-25)11-15-3-1-2-4-17(15)24-18(19)26/h1-8H,9-13H2,(H,24,26)
InChIKeyGMMWPCSRLFLUME-UHFFFAOYSA-N
XLogP3.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-[[4-(trifluoromethoxy)phenyl]methyl]spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1'-[[4-(trifluoromethoxy)phenyl]methyl]spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-2-one (CID 134791826) is 1'-[[4-(trifluoromethoxy)phenyl]methyl]spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1'-[[4-(trifluoromethoxy)phenyl]methyl]spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1'-[[4-(trifluoromethoxy)phenyl]methyl]spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-2-one is O=C1Nc2ccccc2CC12CCN(Cc1ccc(OC(F)(F)F)cc1)C2.
What is the InChIKey of 1'-[[4-(trifluoromethoxy)phenyl]methyl]spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-2-one?
The InChIKey is GMMWPCSRLFLUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O2/c21-20(22,23)27-16-7-5-14(6-8-16)12-25-10-9-19(13-25)11-15-3-1-2-4-17(15)24-18(19)26/h1-8H,9-13H2,(H,24,26).
What are the key properties of 1'-[[4-(trifluoromethoxy)phenyl]methyl]spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-2-one?
1'-[[4-(trifluoromethoxy)phenyl]methyl]spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-2-one has a molecular weight of 376.38 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[[4-(trifluoromethoxy)phenyl]methyl]spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 134791826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).