N-hydroxy-4-[3-hydroxy-3-[6-methoxy-3-(morpholin-4-ylmethyl)quinolin-4-yl]propyl]-1-[2-(2,3,5-trifluorophenoxy)ethyl]piperidine-4-carboxamide

C32H39F3N4O6 — CID 22469955

About N-hydroxy-4-[3-hydroxy-3-[6-methoxy-3-(morpholin-4-ylmethyl)quinolin-4-yl]propyl]-1-[2-(2,3,5-trifluorophenoxy)ethyl]piperidine-4-carboxamide

N-hydroxy-4-[3-hydroxy-3-[6-methoxy-3-(morpholin-4-ylmethyl)quinolin-4-yl]propyl]-1-[2-(2,3,5-trifluorophenoxy)ethyl]piperidine-4-carboxamide (PubChem CID 22469955) has the molecular formula C32H39F3N4O6 and a molecular weight of 632.68 g/mol. Its IUPAC name is N-hydroxy-4-[3-hydroxy-3-[6-methoxy-3-(morpholin-4-ylmethyl)quinolin-4-yl]propyl]-1-[2-(2,3,5-trifluorophenoxy)ethyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-hydroxy-4-[3-hydroxy-3-[6-methoxy-3-(morpholin-4-ylmethyl)quinolin-4-yl]propyl]-1-[2-(2,3,5-trifluorophenoxy)ethyl]piperidine-4-carboxamide
• PubChem CID: 22469955
• Molecular Formula: C32H39F3N4O6
• Molecular Weight: 632.68 g/mol
• Exact Mass: 632.28
• IUPAC Name: N-hydroxy-4-[3-hydroxy-3-[6-methoxy-3-(morpholin-4-ylmethyl)quinolin-4-yl]propyl]-1-[2-(2,3,5-trifluorophenoxy)ethyl]piperidine-4-carboxamide
• SMILES: COc1ccc2ncc(CN3CCOCC3)c(C(O)CCC3(C(=O)NO)CCN(CCOc4cc(F)cc(F)c4F)CC3)c2c1
• InChI: InChI=1S/C32H39F3N4O6/c1-43-23-2-3-26-24(18-23)29(21(19-36-26)20-39-10-13-44-14-11-39)27(40)4-5-32(31(41)37-42)6-8-38(9-7-32)12-15-45-28-17-22(33)16-25(34)30(28)35/h2-3,16-19,27,40,42H,4-15,20H2,1H3,(H,37,41)
• InChIKey: RNGDLRMMEBGODJ-UHFFFAOYSA-N
• XLogP: 3.97
• TPSA: 116.62 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	632.68
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'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-hydroxy-3-[6-methoxy-3-(morpholin-4-ylmethyl)quinolin-4-yl]propyl]-1-[2-(2,3,5-trifluorophenoxy)ethyl]piperidine-4-carboxamide?

The IUPAC name of N-hydroxy-4-[3-hydroxy-3-[6-methoxy-3-(morpholin-4-ylmethyl)quinolin-4-yl]propyl]-1-[2-(2,3,5-trifluorophenoxy)ethyl]piperidine-4-carboxamide (CID 22469955) is N-hydroxy-4-[3-hydroxy-3-[6-methoxy-3-(morpholin-4-ylmethyl)quinolin-4-yl]propyl]-1-[2-(2,3,5-trifluorophenoxy)ethyl]piperidine-4-carboxamide.

What is the SMILES notation for N-hydroxy-4-[3-hydroxy-3-[6-methoxy-3-(morpholin-4-ylmethyl)quinolin-4-yl]propyl]-1-[2-(2,3,5-trifluorophenoxy)ethyl]piperidine-4-carboxamide?

The canonical SMILES for N-hydroxy-4-[3-hydroxy-3-[6-methoxy-3-(morpholin-4-ylmethyl)quinolin-4-yl]propyl]-1-[2-(2,3,5-trifluorophenoxy)ethyl]piperidine-4-carboxamide is COc1ccc2ncc(CN3CCOCC3)c(C(O)CCC3(C(=O)NO)CCN(CCOc4cc(F)cc(F)c4F)CC3)c2c1.

What is the InChIKey of N-hydroxy-4-[3-hydroxy-3-[6-methoxy-3-(morpholin-4-ylmethyl)quinolin-4-yl]propyl]-1-[2-(2,3,5-trifluorophenoxy)ethyl]piperidine-4-carboxamide?

The InChIKey is RNGDLRMMEBGODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39F3N4O6/c1-43-23-2-3-26-24(18-23)29(21(19-36-26)20-39-10-13-44-14-11-39)27(40)4-5-32(31(41)37-42)6-8-38(9-7-32)12-15-45-28-17-22(33)16-25(34)30(28)35/h2-3,16-19,27,40,42H,4-15,20H2,1H3,(H,37,41).

What are the key properties of N-hydroxy-4-[3-hydroxy-3-[6-methoxy-3-(morpholin-4-ylmethyl)quinolin-4-yl]propyl]-1-[2-(2,3,5-trifluorophenoxy)ethyl]piperidine-4-carboxamide?

N-hydroxy-4-[3-hydroxy-3-[6-methoxy-3-(morpholin-4-ylmethyl)quinolin-4-yl]propyl]-1-[2-(2,3,5-trifluorophenoxy)ethyl]piperidine-4-carboxamide has a molecular weight of 632.68 g/mol, XLogP of 3.97, 12 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-hydroxy-4-[3-hydroxy-3-[6-methoxy-3-(morpholin-4-ylmethyl)quinolin-4-yl]propyl]-1-[2-(2,3,5-trifluorophenoxy)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 22469955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).