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

C22H19F3N2O2S — CID 3866098

IUPAC2-methyl-5-oxo-4-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)C(c2cccs2)C2=C(CCCC2=O)N1
InChIInChI=1S/C22H19F3N2O2S/c1-12-18(21(29)27-14-6-2-5-13(11-14)22(23,24)25)20(17-9-4-10-30-17)19-15(26-12)7-3-8-16(19)28/h2,4-6,9-11,20,26H,3,7-8H2,1H3,(H,27,29)
InChIKeyIIUOTKYMYVTEIO-UHFFFAOYSA-N
MW432.47 g/mol
LogP5.37
Rot. Bonds3

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

2-methyl-5-oxo-4-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 3866098) has the molecular formula C22H19F3N2O2S and a molecular weight of 432.47 g/mol. Its IUPAC name is 2-methyl-5-oxo-4-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name2-methyl-5-oxo-4-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID3866098
Molecular FormulaC22H19F3N2O2S
Molecular Weight432.47 g/mol
Exact Mass432.11
IUPAC Name2-methyl-5-oxo-4-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)C(c2cccs2)C2=C(CCCC2=O)N1
InChIInChI=1S/C22H19F3N2O2S/c1-12-18(21(29)27-14-6-2-5-13(11-14)22(23,24)25)20(17-9-4-10-30-17)19-15(26-12)7-3-8-16(19)28/h2,4-6,9-11,20,26H,3,7-8H2,1H3,(H,27,29)
InChIKeyIIUOTKYMYVTEIO-UHFFFAOYSA-N
XLogP5.37
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.47
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-5-oxo-4-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide with MolForge

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Related Compounds

1-(2-fluorophenyl)-4-thiophen-3-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 3326392
7,7-Dimethyl-1-phenyl-4-thiophen-3-yl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 4543609
N-(3-Fluorophenyl)-2,7,7-trimethyl-5-oxo-4-(3-thienyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide
CID 2901278
2-Amino-4-(2,5-dimethyl-3-thienyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CID 4101063
N-(3-acetylphenyl)thiophene-2-carboxamide
CID 673733
N-tert-butyl-3-[(thiophen-2-ylacetyl)amino]benzamide
CID 1120381
N-(3-acetylphenyl)-5-ethyl-4-methylthiophene-2-carboxamide
CID 2438918
7,7-Dimethyl-1-(4-methylphenyl)-4-thiophen-3-yl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 3965311
1-(4-fluorophenyl)-4-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 3268929
1-phenyl-4-thiophen-3-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 3236214
1-(4-fluorophenyl)-7,7-dimethyl-4-(3-thienyl)-4,6,7,8-tetrahydro-2,5(1H,3H)-quinolinedione
CID 3658297
4-(thiophen-2-yl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 3811928

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-oxo-4-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of 2-methyl-5-oxo-4-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 3866098) is 2-methyl-5-oxo-4-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for 2-methyl-5-oxo-4-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for 2-methyl-5-oxo-4-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)C(c2cccs2)C2=C(CCCC2=O)N1.
What is the InChIKey of 2-methyl-5-oxo-4-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is IIUOTKYMYVTEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N2O2S/c1-12-18(21(29)27-14-6-2-5-13(11-14)22(23,24)25)20(17-9-4-10-30-17)19-15(26-12)7-3-8-16(19)28/h2,4-6,9-11,20,26H,3,7-8H2,1H3,(H,27,29).
What are the key properties of 2-methyl-5-oxo-4-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
2-methyl-5-oxo-4-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 432.47 g/mol, XLogP of 5.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-oxo-4-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 3866098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).