4-(4-bromo-2-methoxyphenyl)-2-hydroxy-4-methyl-N-quinolin-5-yl-2-(trifluoromethyl)pentanamide;4-(4-bromo-2-methoxyphenyl)-4-methyl-2-oxo-N-quinolin-5-ylpentanamide

C45H43Br2F3N4O6 — CID 141232899

About 4-(4-bromo-2-methoxyphenyl)-2-hydroxy-4-methyl-N-quinolin-5-yl-2-(trifluoromethyl)pentanamide;4-(4-bromo-2-methoxyphenyl)-4-methyl-2-oxo-N-quinolin-5-ylpentanamide

4-(4-bromo-2-methoxyphenyl)-2-hydroxy-4-methyl-N-quinolin-5-yl-2-(trifluoromethyl)pentanamide;4-(4-bromo-2-methoxyphenyl)-4-methyl-2-oxo-N-quinolin-5-ylpentanamide (PubChem CID 141232899) has the molecular formula C45H43Br2F3N4O6 and a molecular weight of 952.66 g/mol. Its IUPAC name is 4-(4-bromo-2-methoxyphenyl)-2-hydroxy-4-methyl-N-quinolin-5-yl-2-(trifluoromethyl)pentanamide;4-(4-bromo-2-methoxyphenyl)-4-methyl-2-oxo-N-quinolin-5-ylpentanamide.

Molecular Properties

• Compound Name: 4-(4-bromo-2-methoxyphenyl)-2-hydroxy-4-methyl-N-quinolin-5-yl-2-(trifluoromethyl)pentanamide;4-(4-bromo-2-methoxyphenyl)-4-methyl-2-oxo-N-quinolin-5-ylpentanamide
• PubChem CID: 141232899
• Molecular Formula: C45H43Br2F3N4O6
• Molecular Weight: 952.66 g/mol
• Exact Mass: 950.15
• IUPAC Name: 4-(4-bromo-2-methoxyphenyl)-2-hydroxy-4-methyl-N-quinolin-5-yl-2-(trifluoromethyl)pentanamide;4-(4-bromo-2-methoxyphenyl)-4-methyl-2-oxo-N-quinolin-5-ylpentanamide
• SMILES: COc1cc(Br)ccc1C(C)(C)CC(=O)C(=O)Nc1cccc2ncccc12.COc1cc(Br)ccc1C(C)(C)CC(O)(C(=O)Nc1cccc2ncccc12)C(F)(F)F
• InChI: InChI=1S/C23H22BrF3N2O3.C22H21BrN2O3/c1-21(2,16-10-9-14(24)12-19(16)32-3)13-22(31,23(25,26)27)20(30)29-18-8-4-7-17-15(18)6-5-11-28-17;1-22(2,16-10-9-14(23)12-20(16)28-3)13-19(26)21(27)25-18-8-4-7-17-15(18)6-5-11-24-17/h4-12,31H,13H2,1-3H3,(H,29,30);4-12H,13H2,1-3H3,(H,25,27)
• InChIKey: AADPYJGAEDCOOK-UHFFFAOYSA-N
• XLogP: 10.49
• TPSA: 139.74 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	952.66
LogP ≤ 5	10.49
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-methoxyphenyl)-2-hydroxy-4-methyl-N-quinolin-5-yl-2-(trifluoromethyl)pentanamide;4-(4-bromo-2-methoxyphenyl)-4-methyl-2-oxo-N-quinolin-5-ylpentanamide?

The IUPAC name of 4-(4-bromo-2-methoxyphenyl)-2-hydroxy-4-methyl-N-quinolin-5-yl-2-(trifluoromethyl)pentanamide;4-(4-bromo-2-methoxyphenyl)-4-methyl-2-oxo-N-quinolin-5-ylpentanamide (CID 141232899) is 4-(4-bromo-2-methoxyphenyl)-2-hydroxy-4-methyl-N-quinolin-5-yl-2-(trifluoromethyl)pentanamide;4-(4-bromo-2-methoxyphenyl)-4-methyl-2-oxo-N-quinolin-5-ylpentanamide.

What is the SMILES notation for 4-(4-bromo-2-methoxyphenyl)-2-hydroxy-4-methyl-N-quinolin-5-yl-2-(trifluoromethyl)pentanamide;4-(4-bromo-2-methoxyphenyl)-4-methyl-2-oxo-N-quinolin-5-ylpentanamide?

The canonical SMILES for 4-(4-bromo-2-methoxyphenyl)-2-hydroxy-4-methyl-N-quinolin-5-yl-2-(trifluoromethyl)pentanamide;4-(4-bromo-2-methoxyphenyl)-4-methyl-2-oxo-N-quinolin-5-ylpentanamide is COc1cc(Br)ccc1C(C)(C)CC(=O)C(=O)Nc1cccc2ncccc12.COc1cc(Br)ccc1C(C)(C)CC(O)(C(=O)Nc1cccc2ncccc12)C(F)(F)F.

What is the InChIKey of 4-(4-bromo-2-methoxyphenyl)-2-hydroxy-4-methyl-N-quinolin-5-yl-2-(trifluoromethyl)pentanamide;4-(4-bromo-2-methoxyphenyl)-4-methyl-2-oxo-N-quinolin-5-ylpentanamide?

The InChIKey is AADPYJGAEDCOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BrF3N2O3.C22H21BrN2O3/c1-21(2,16-10-9-14(24)12-19(16)32-3)13-22(31,23(25,26)27)20(30)29-18-8-4-7-17-15(18)6-5-11-28-17;1-22(2,16-10-9-14(23)12-20(16)28-3)13-19(26)21(27)25-18-8-4-7-17-15(18)6-5-11-24-17/h4-12,31H,13H2,1-3H3,(H,29,30);4-12H,13H2,1-3H3,(H,25,27).

What are the key properties of 4-(4-bromo-2-methoxyphenyl)-2-hydroxy-4-methyl-N-quinolin-5-yl-2-(trifluoromethyl)pentanamide;4-(4-bromo-2-methoxyphenyl)-4-methyl-2-oxo-N-quinolin-5-ylpentanamide?

4-(4-bromo-2-methoxyphenyl)-2-hydroxy-4-methyl-N-quinolin-5-yl-2-(trifluoromethyl)pentanamide;4-(4-bromo-2-methoxyphenyl)-4-methyl-2-oxo-N-quinolin-5-ylpentanamide has a molecular weight of 952.66 g/mol, XLogP of 10.49, 12 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-bromo-2-methoxyphenyl)-2-hydroxy-4-methyl-N-quinolin-5-yl-2-(trifluoromethyl)pentanamide;4-(4-bromo-2-methoxyphenyl)-4-methyl-2-oxo-N-quinolin-5-ylpentanamide is sourced from PubChem (CID 141232899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).