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

C24H20F4N2O2 — CID 2949354

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

N-(4-fluorophenyl)-2-methyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 2949354) has the molecular formula C24H20F4N2O2 and a molecular weight of 444.43 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-methyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

• Compound Name: N-(4-fluorophenyl)-2-methyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
• PubChem CID: 2949354
• Molecular Formula: C24H20F4N2O2
• Molecular Weight: 444.43 g/mol
• Exact Mass: 444.15
• IUPAC Name: N-(4-fluorophenyl)-2-methyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
• SMILES: CC1=C(C(=O)Nc2ccc(F)cc2)C(c2cccc(C(F)(F)F)c2)C2=C(CCCC2=O)N1
• InChI: InChI=1S/C24H20F4N2O2/c1-13-20(23(32)30-17-10-8-16(25)9-11-17)21(22-18(29-13)6-3-7-19(22)31)14-4-2-5-15(12-14)24(26,27)28/h2,4-5,8-12,21,29H,3,6-7H2,1H3,(H,30,32)
• InChIKey: RYMSTZOJZHSMKA-UHFFFAOYSA-N
• XLogP: 5.45
• TPSA: 58.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	444.43
LogP ≤ 5	5.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-methyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?

The IUPAC name of N-(4-fluorophenyl)-2-methyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 2949354) is N-(4-fluorophenyl)-2-methyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

What is the SMILES notation for N-(4-fluorophenyl)-2-methyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?

The canonical SMILES for N-(4-fluorophenyl)-2-methyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is CC1=C(C(=O)Nc2ccc(F)cc2)C(c2cccc(C(F)(F)F)c2)C2=C(CCCC2=O)N1.

What is the InChIKey of N-(4-fluorophenyl)-2-methyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?

The InChIKey is RYMSTZOJZHSMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F4N2O2/c1-13-20(23(32)30-17-10-8-16(25)9-11-17)21(22-18(29-13)6-3-7-19(22)31)14-4-2-5-15(12-14)24(26,27)28/h2,4-5,8-12,21,29H,3,6-7H2,1H3,(H,30,32).

What are the key properties of N-(4-fluorophenyl)-2-methyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?

N-(4-fluorophenyl)-2-methyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 444.43 g/mol, XLogP of 5.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-fluorophenyl)-2-methyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 2949354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).