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

C19H17F3N2O — CID 134794506

IUPAC1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,2'-azetidine]-2-one
SMILESO=C1Nc2ccccc2CC12CCN2Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H17F3N2O/c20-19(21,22)15-7-5-13(6-8-15)12-24-10-9-18(24)11-14-3-1-2-4-16(14)23-17(18)25/h1-8H,9-12H2,(H,23,25)
InChIKeyKFZVLYIZTAVLQK-UHFFFAOYSA-N
MW346.35 g/mol
LogP3.84
Rot. Bonds2

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

1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,2'-azetidine]-2-one (PubChem CID 134794506) has the molecular formula C19H17F3N2O and a molecular weight of 346.35 g/mol. Its IUPAC name is 1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,2'-azetidine]-2-one.

Molecular Properties

Compound Name1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,2'-azetidine]-2-one
PubChem CID134794506
Molecular FormulaC19H17F3N2O
Molecular Weight346.35 g/mol
Exact Mass346.13
IUPAC Name1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,2'-azetidine]-2-one
SMILESO=C1Nc2ccccc2CC12CCN2Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H17F3N2O/c20-19(21,22)15-7-5-13(6-8-15)12-24-10-9-18(24)11-14-3-1-2-4-16(14)23-17(18)25/h1-8H,9-12H2,(H,23,25)
InChIKeyKFZVLYIZTAVLQK-UHFFFAOYSA-N
XLogP3.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,2'-azetidine]-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,2'-pyrrolidine]-2-one
CID 118740606
1'-[[4-(trifluoromethoxy)phenyl]methyl]spiro[1,4-dihydroquinoline-3,2'-azetidine]-2-one
CID 134792732
1'-[[2-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,2'-azetidine]-2-one
CID 134791744
1'-(pyridin-3-ylmethyl)spiro[1,4-dihydroquinoline-3,2'-pyrrolidine]-2-one
CID 118740605
1'-(3-methylbutyl)spiro[1,4-dihydroquinoline-3,2'-azetidine]-2-one
CID 134793461
1'-[4-(trifluoromethyl)benzoyl]spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one
CID 134791811
2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroisoindole
CID 141472105
3-[1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one
CID 155234182
N-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-imine
CID 146922887
1-[(4-chlorophenyl)methyl]-4-oxo-N-[4-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 134794060
2'-oxo-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-1-carboxylic acid
CID 134459884
3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 27247656

Frequently Asked Questions

What is the IUPAC name of 1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,2'-azetidine]-2-one?
The IUPAC name of 1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,2'-azetidine]-2-one (CID 134794506) is 1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,2'-azetidine]-2-one.
What is the SMILES notation for 1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,2'-azetidine]-2-one?
The canonical SMILES for 1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,2'-azetidine]-2-one is O=C1Nc2ccccc2CC12CCN2Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,2'-azetidine]-2-one?
The InChIKey is KFZVLYIZTAVLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O/c20-19(21,22)15-7-5-13(6-8-15)12-24-10-9-18(24)11-14-3-1-2-4-16(14)23-17(18)25/h1-8H,9-12H2,(H,23,25).
What are the key properties of 1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,2'-azetidine]-2-one?
1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,2'-azetidine]-2-one has a molecular weight of 346.35 g/mol, XLogP of 3.84, 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'-azetidine]-2-one is sourced from PubChem (CID 134794506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).