N-hydroxy-4-[3-(6-methoxy-3-methylquinolin-4-yl)propyl]-1-[2-(2,4,6-trifluoroanilino)ethyl]piperidine-4-carboxamide

C28H33F3N4O3 — CID 22470286

About N-hydroxy-4-[3-(6-methoxy-3-methylquinolin-4-yl)propyl]-1-[2-(2,4,6-trifluoroanilino)ethyl]piperidine-4-carboxamide

N-hydroxy-4-[3-(6-methoxy-3-methylquinolin-4-yl)propyl]-1-[2-(2,4,6-trifluoroanilino)ethyl]piperidine-4-carboxamide (PubChem CID 22470286) has the molecular formula C28H33F3N4O3 and a molecular weight of 530.59 g/mol. Its IUPAC name is N-hydroxy-4-[3-(6-methoxy-3-methylquinolin-4-yl)propyl]-1-[2-(2,4,6-trifluoroanilino)ethyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-hydroxy-4-[3-(6-methoxy-3-methylquinolin-4-yl)propyl]-1-[2-(2,4,6-trifluoroanilino)ethyl]piperidine-4-carboxamide
• PubChem CID: 22470286
• Molecular Formula: C28H33F3N4O3
• Molecular Weight: 530.59 g/mol
• Exact Mass: 530.25
• IUPAC Name: N-hydroxy-4-[3-(6-methoxy-3-methylquinolin-4-yl)propyl]-1-[2-(2,4,6-trifluoroanilino)ethyl]piperidine-4-carboxamide
• SMILES: COc1ccc2ncc(C)c(CCCC3(C(=O)NO)CCN(CCNc4c(F)cc(F)cc4F)CC3)c2c1
• InChI: InChI=1S/C28H33F3N4O3/c1-18-17-33-25-6-5-20(38-2)16-22(25)21(18)4-3-7-28(27(36)34-37)8-11-35(12-9-28)13-10-32-26-23(30)14-19(29)15-24(26)31/h5-6,14-17,32,37H,3-4,7-13H2,1-2H3,(H,34,36)
• InChIKey: YBQVQBLIOLCNON-UHFFFAOYSA-N
• XLogP: 4.99
• TPSA: 86.72 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.59
LogP ≤ 5	4.99
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[3-(6-methoxy-3-methylquinolin-4-yl)propyl]-1-[2-(2,4,6-trifluoroanilino)ethyl]piperidine-4-carboxamide?

The IUPAC name of N-hydroxy-4-[3-(6-methoxy-3-methylquinolin-4-yl)propyl]-1-[2-(2,4,6-trifluoroanilino)ethyl]piperidine-4-carboxamide (CID 22470286) is N-hydroxy-4-[3-(6-methoxy-3-methylquinolin-4-yl)propyl]-1-[2-(2,4,6-trifluoroanilino)ethyl]piperidine-4-carboxamide.

What is the SMILES notation for N-hydroxy-4-[3-(6-methoxy-3-methylquinolin-4-yl)propyl]-1-[2-(2,4,6-trifluoroanilino)ethyl]piperidine-4-carboxamide?

The canonical SMILES for N-hydroxy-4-[3-(6-methoxy-3-methylquinolin-4-yl)propyl]-1-[2-(2,4,6-trifluoroanilino)ethyl]piperidine-4-carboxamide is COc1ccc2ncc(C)c(CCCC3(C(=O)NO)CCN(CCNc4c(F)cc(F)cc4F)CC3)c2c1.

What is the InChIKey of N-hydroxy-4-[3-(6-methoxy-3-methylquinolin-4-yl)propyl]-1-[2-(2,4,6-trifluoroanilino)ethyl]piperidine-4-carboxamide?

The InChIKey is YBQVQBLIOLCNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33F3N4O3/c1-18-17-33-25-6-5-20(38-2)16-22(25)21(18)4-3-7-28(27(36)34-37)8-11-35(12-9-28)13-10-32-26-23(30)14-19(29)15-24(26)31/h5-6,14-17,32,37H,3-4,7-13H2,1-2H3,(H,34,36).

What are the key properties of N-hydroxy-4-[3-(6-methoxy-3-methylquinolin-4-yl)propyl]-1-[2-(2,4,6-trifluoroanilino)ethyl]piperidine-4-carboxamide?

N-hydroxy-4-[3-(6-methoxy-3-methylquinolin-4-yl)propyl]-1-[2-(2,4,6-trifluoroanilino)ethyl]piperidine-4-carboxamide has a molecular weight of 530.59 g/mol, XLogP of 4.99, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-hydroxy-4-[3-(6-methoxy-3-methylquinolin-4-yl)propyl]-1-[2-(2,4,6-trifluoroanilino)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 22470286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).