N'-[(2R,4R)-1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-2,2,2-trifluoro-N'-phenylacetohydrazide

C25H22F3N3O2 — CID 92508835

About N'-[(2R,4R)-1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-2,2,2-trifluoro-N'-phenylacetohydrazide

N'-[(2R,4R)-1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-2,2,2-trifluoro-N'-phenylacetohydrazide (PubChem CID 92508835) has the molecular formula C25H22F3N3O2 and a molecular weight of 453.46 g/mol. Its IUPAC name is N'-[(2R,4R)-1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-2,2,2-trifluoro-N'-phenylacetohydrazide.

Molecular Properties

• Compound Name: N'-[(2R,4R)-1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-2,2,2-trifluoro-N'-phenylacetohydrazide
• PubChem CID: 92508835
• Molecular Formula: C25H22F3N3O2
• Molecular Weight: 453.46 g/mol
• Exact Mass: 453.17
• IUPAC Name: N'-[(2R,4R)-1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-2,2,2-trifluoro-N'-phenylacetohydrazide
• SMILES: C[C@@H]1C[C@@H](N(NC(=O)C(F)(F)F)c2ccccc2)c2ccccc2N1C(=O)c1ccccc1
• InChI: InChI=1S/C25H22F3N3O2/c1-17-16-22(31(19-12-6-3-7-13-19)29-24(33)25(26,27)28)20-14-8-9-15-21(20)30(17)23(32)18-10-4-2-5-11-18/h2-15,17,22H,16H2,1H3,(H,29,33)/t17-,22-/m1/s1
• InChIKey: BAMJKXHZEOGFMC-VGOFRKELSA-N
• XLogP: 5.27
• TPSA: 52.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	453.46
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-[(2R,4R)-1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-2,2,2-trifluoro-N'-phenylacetohydrazide?

The IUPAC name of N'-[(2R,4R)-1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-2,2,2-trifluoro-N'-phenylacetohydrazide (CID 92508835) is N'-[(2R,4R)-1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-2,2,2-trifluoro-N'-phenylacetohydrazide.

What is the SMILES notation for N'-[(2R,4R)-1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-2,2,2-trifluoro-N'-phenylacetohydrazide?

The canonical SMILES for N'-[(2R,4R)-1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-2,2,2-trifluoro-N'-phenylacetohydrazide is C[C@@H]1C[C@@H](N(NC(=O)C(F)(F)F)c2ccccc2)c2ccccc2N1C(=O)c1ccccc1.

What is the InChIKey of N'-[(2R,4R)-1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-2,2,2-trifluoro-N'-phenylacetohydrazide?

The InChIKey is BAMJKXHZEOGFMC-VGOFRKELSA-N. The full InChI is InChI=1S/C25H22F3N3O2/c1-17-16-22(31(19-12-6-3-7-13-19)29-24(33)25(26,27)28)20-14-8-9-15-21(20)30(17)23(32)18-10-4-2-5-11-18/h2-15,17,22H,16H2,1H3,(H,29,33)/t17-,22-/m1/s1.

What are the key properties of N'-[(2R,4R)-1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-2,2,2-trifluoro-N'-phenylacetohydrazide?

N'-[(2R,4R)-1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-2,2,2-trifluoro-N'-phenylacetohydrazide has a molecular weight of 453.46 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[(2R,4R)-1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-2,2,2-trifluoro-N'-phenylacetohydrazide is sourced from PubChem (CID 92508835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).