N-[2-methyl-1-(2,4,5-trifluoro-6-methylpyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide

C25H22F3N3O2 — CID 69443397

About N-[2-methyl-1-(2,4,5-trifluoro-6-methylpyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide

N-[2-methyl-1-(2,4,5-trifluoro-6-methylpyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide (PubChem CID 69443397) has the molecular formula C25H22F3N3O2 and a molecular weight of 453.46 g/mol. Its IUPAC name is N-[2-methyl-1-(2,4,5-trifluoro-6-methylpyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide.

Molecular Properties

• Compound Name: N-[2-methyl-1-(2,4,5-trifluoro-6-methylpyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
• PubChem CID: 69443397
• Molecular Formula: C25H22F3N3O2
• Molecular Weight: 453.46 g/mol
• Exact Mass: 453.17
• IUPAC Name: N-[2-methyl-1-(2,4,5-trifluoro-6-methylpyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
• SMILES: CC(=O)N(c1ccccc1)C1CC(C)N(C(=O)c2c(F)nc(C)c(F)c2F)c2ccccc21
• InChI: InChI=1S/C25H22F3N3O2/c1-14-13-20(31(16(3)32)17-9-5-4-6-10-17)18-11-7-8-12-19(18)30(14)25(33)21-23(27)22(26)15(2)29-24(21)28/h4-12,14,20H,13H2,1-3H3
• InChIKey: FEMAKNINRPSMPQ-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 53.51 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	453.46
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-(2,4,5-trifluoro-6-methylpyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?

The IUPAC name of N-[2-methyl-1-(2,4,5-trifluoro-6-methylpyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide (CID 69443397) is N-[2-methyl-1-(2,4,5-trifluoro-6-methylpyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide.

What is the SMILES notation for N-[2-methyl-1-(2,4,5-trifluoro-6-methylpyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?

The canonical SMILES for N-[2-methyl-1-(2,4,5-trifluoro-6-methylpyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide is CC(=O)N(c1ccccc1)C1CC(C)N(C(=O)c2c(F)nc(C)c(F)c2F)c2ccccc21.

What is the InChIKey of N-[2-methyl-1-(2,4,5-trifluoro-6-methylpyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?

The InChIKey is FEMAKNINRPSMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N3O2/c1-14-13-20(31(16(3)32)17-9-5-4-6-10-17)18-11-7-8-12-19(18)30(14)25(33)21-23(27)22(26)15(2)29-24(21)28/h4-12,14,20H,13H2,1-3H3.

What are the key properties of N-[2-methyl-1-(2,4,5-trifluoro-6-methylpyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?

N-[2-methyl-1-(2,4,5-trifluoro-6-methylpyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide has a molecular weight of 453.46 g/mol, XLogP of 5.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-methyl-1-(2,4,5-trifluoro-6-methylpyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide is sourced from PubChem (CID 69443397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).