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

C22H23F3N2O3 — CID 24609028

IUPAC3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]propanamide
SMILESO=C(CCC1Cc2ccccc2NC1=O)NCc1ccc(COCC(F)(F)F)cc1
InChIInChI=1S/C22H23F3N2O3/c23-22(24,25)14-30-13-16-7-5-15(6-8-16)12-26-20(28)10-9-18-11-17-3-1-2-4-19(17)27-21(18)29/h1-8,18H,9-14H2,(H,26,28)(H,27,29)
InChIKeyLYKBKDQCUQOHCK-UHFFFAOYSA-N
MW420.43 g/mol
LogP3.97
Rot. Bonds8

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

3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]propanamide (PubChem CID 24609028) has the molecular formula C22H23F3N2O3 and a molecular weight of 420.43 g/mol. Its IUPAC name is 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]propanamide
PubChem CID24609028
Molecular FormulaC22H23F3N2O3
Molecular Weight420.43 g/mol
Exact Mass420.17
IUPAC Name3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]propanamide
SMILESO=C(CCC1Cc2ccccc2NC1=O)NCc1ccc(COCC(F)(F)F)cc1
InChIInChI=1S/C22H23F3N2O3/c23-22(24,25)14-30-13-16-7-5-15(6-8-16)12-26-20(28)10-9-18-11-17-3-1-2-4-19(17)27-21(18)29/h1-8,18H,9-14H2,(H,26,28)(H,27,29)
InChIKeyLYKBKDQCUQOHCK-UHFFFAOYSA-N
XLogP3.97
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.43
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]propanamide?
The IUPAC name of 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]propanamide (CID 24609028) is 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]propanamide?
The canonical SMILES for 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]propanamide is O=C(CCC1Cc2ccccc2NC1=O)NCc1ccc(COCC(F)(F)F)cc1.
What is the InChIKey of 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]propanamide?
The InChIKey is LYKBKDQCUQOHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N2O3/c23-22(24,25)14-30-13-16-7-5-15(6-8-16)12-26-20(28)10-9-18-11-17-3-1-2-4-19(17)27-21(18)29/h1-8,18H,9-14H2,(H,26,28)(H,27,29).
What are the key properties of 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]propanamide?
3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]propanamide has a molecular weight of 420.43 g/mol, XLogP of 3.97, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 24609028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).