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

C26H26F3N3O2 — CID 2901876

IUPAC4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-N-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)C(c2ccc(N(C)C)cc2)C2=C(CCCC2=O)N1
InChIInChI=1S/C26H26F3N3O2/c1-15-22(25(34)31-18-7-4-6-17(14-18)26(27,28)29)23(16-10-12-19(13-11-16)32(2)3)24-20(30-15)8-5-9-21(24)33/h4,6-7,10-14,23,30H,5,8-9H2,1-3H3,(H,31,34)
InChIKeyIVUTYYYOFFFSBG-UHFFFAOYSA-N
MW469.51 g/mol
LogP5.38
Rot. Bonds4

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

4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-N-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 2901876) has the molecular formula C26H26F3N3O2 and a molecular weight of 469.51 g/mol. Its IUPAC name is 4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-N-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-N-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID2901876
Molecular FormulaC26H26F3N3O2
Molecular Weight469.51 g/mol
Exact Mass469.20
IUPAC Name4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-N-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)C(c2ccc(N(C)C)cc2)C2=C(CCCC2=O)N1
InChIInChI=1S/C26H26F3N3O2/c1-15-22(25(34)31-18-7-4-6-17(14-18)26(27,28)29)23(16-10-12-19(13-11-16)32(2)3)24-20(30-15)8-5-9-21(24)33/h4,6-7,10-14,23,30H,5,8-9H2,1-3H3,(H,31,34)
InChIKeyIVUTYYYOFFFSBG-UHFFFAOYSA-N
XLogP5.38
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.51
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-N-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of 4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-N-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 2901876) is 4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-N-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for 4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-N-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for 4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-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(c2ccc(N(C)C)cc2)C2=C(CCCC2=O)N1.
What is the InChIKey of 4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-N-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is IVUTYYYOFFFSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N3O2/c1-15-22(25(34)31-18-7-4-6-17(14-18)26(27,28)29)23(16-10-12-19(13-11-16)32(2)3)24-20(30-15)8-5-9-21(24)33/h4,6-7,10-14,23,30H,5,8-9H2,1-3H3,(H,31,34).
What are the key properties of 4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-N-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-N-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 469.51 g/mol, XLogP of 5.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-N-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 2901876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).