3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide

C20H19F3N2O2 — CID 134049503

IUPAC3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
SMILESO=C(CCC1Cc2ccccc2NC1=O)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H19F3N2O2/c21-20(22,23)16-8-5-13(6-9-16)12-24-18(26)10-7-15-11-14-3-1-2-4-17(14)25-19(15)27/h1-6,8-9,15H,7,10-12H2,(H,24,26)(H,25,27)
InChIKeyZIUDFXFNHRDELV-UHFFFAOYSA-N
MW376.38 g/mol
LogP3.91
Rot. Bonds5

About 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide

3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide (PubChem CID 134049503) has the molecular formula C20H19F3N2O2 and a molecular weight of 376.38 g/mol. Its IUPAC name is 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
PubChem CID134049503
Molecular FormulaC20H19F3N2O2
Molecular Weight376.38 g/mol
Exact Mass376.14
IUPAC Name3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
SMILESO=C(CCC1Cc2ccccc2NC1=O)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H19F3N2O2/c21-20(22,23)16-8-5-13(6-9-16)12-24-18(26)10-7-15-11-14-3-1-2-4-17(14)25-19(15)27/h1-6,8-9,15H,7,10-12H2,(H,24,26)(H,25,27)
InChIKeyZIUDFXFNHRDELV-UHFFFAOYSA-N
XLogP3.91
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide?
The IUPAC name of 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide (CID 134049503) is 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide?
The canonical SMILES for 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide is O=C(CCC1Cc2ccccc2NC1=O)NCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide?
The InChIKey is ZIUDFXFNHRDELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O2/c21-20(22,23)16-8-5-13(6-9-16)12-24-18(26)10-7-15-11-14-3-1-2-4-17(14)25-19(15)27/h1-6,8-9,15H,7,10-12H2,(H,24,26)(H,25,27).
What are the key properties of 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide?
3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide has a molecular weight of 376.38 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 134049503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).