6-ethyl-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C21H23F3N2O2 — CID 167973330

IUPAC6-ethyl-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCCC1CCc2[nH]c(=O)c(C(=O)NCc3ccc(C(F)(F)F)cc3C)cc2C1
InChIInChI=1S/C21H23F3N2O2/c1-3-13-4-7-18-15(9-13)10-17(20(28)26-18)19(27)25-11-14-5-6-16(8-12(14)2)21(22,23)24/h5-6,8,10,13H,3-4,7,9,11H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyYKQNFHNTRZSVAY-UHFFFAOYSA-N
MW392.42 g/mol
LogP4.15
Rot. Bonds4

About 6-ethyl-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

6-ethyl-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 167973330) has the molecular formula C21H23F3N2O2 and a molecular weight of 392.42 g/mol. Its IUPAC name is 6-ethyl-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name6-ethyl-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID167973330
Molecular FormulaC21H23F3N2O2
Molecular Weight392.42 g/mol
Exact Mass392.17
IUPAC Name6-ethyl-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCCC1CCc2[nH]c(=O)c(C(=O)NCc3ccc(C(F)(F)F)cc3C)cc2C1
InChIInChI=1S/C21H23F3N2O2/c1-3-13-4-7-18-15(9-13)10-17(20(28)26-18)19(27)25-11-14-5-6-16(8-12(14)2)21(22,23)24/h5-6,8,10,13H,3-4,7,9,11H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyYKQNFHNTRZSVAY-UHFFFAOYSA-N
XLogP4.15
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of 6-ethyl-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 167973330) is 6-ethyl-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for 6-ethyl-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for 6-ethyl-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is CCC1CCc2[nH]c(=O)c(C(=O)NCc3ccc(C(F)(F)F)cc3C)cc2C1.
What is the InChIKey of 6-ethyl-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is YKQNFHNTRZSVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O2/c1-3-13-4-7-18-15(9-13)10-17(20(28)26-18)19(27)25-11-14-5-6-16(8-12(14)2)21(22,23)24/h5-6,8,10,13H,3-4,7,9,11H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 6-ethyl-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
6-ethyl-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 392.42 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 167973330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).