N-hydroxy-4-[4-[[6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]amino]piperidin-1-yl]benzamide

C34H41N5O5 — CID 142495365

About N-hydroxy-4-[4-[[6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]amino]piperidin-1-yl]benzamide

N-hydroxy-4-[4-[[6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]amino]piperidin-1-yl]benzamide (PubChem CID 142495365) has the molecular formula C34H41N5O5 and a molecular weight of 599.73 g/mol. Its IUPAC name is N-hydroxy-4-[4-[[6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]amino]piperidin-1-yl]benzamide.

Molecular Properties

• Compound Name: N-hydroxy-4-[4-[[6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]amino]piperidin-1-yl]benzamide
• PubChem CID: 142495365
• Molecular Formula: C34H41N5O5
• Molecular Weight: 599.73 g/mol
• Exact Mass: 599.31
• IUPAC Name: N-hydroxy-4-[4-[[6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]amino]piperidin-1-yl]benzamide
• SMILES: COc1cc2c(NC3CCN(c4ccc(C(=O)NO)cc4)CC3)cc(-c3ccc(C)o3)nc2cc1OCCCN1CCCC1
• InChI: InChI=1S/C34H41N5O5/c1-23-6-11-31(44-23)30-21-28(35-25-12-17-39(18-13-25)26-9-7-24(8-10-26)34(40)37-41)27-20-32(42-2)33(22-29(27)36-30)43-19-5-16-38-14-3-4-15-38/h6-11,20-22,25,41H,3-5,12-19H2,1-2H3,(H,35,36)(H,37,40)
• InChIKey: LZYFRBDZTMNLFR-UHFFFAOYSA-N
• XLogP: 5.88
• TPSA: 112.33 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	599.73
LogP ≤ 5	5.88
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', '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-[4-[[6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]amino]piperidin-1-yl]benzamide?

The IUPAC name of N-hydroxy-4-[4-[[6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]amino]piperidin-1-yl]benzamide (CID 142495365) is N-hydroxy-4-[4-[[6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]amino]piperidin-1-yl]benzamide.

What is the SMILES notation for N-hydroxy-4-[4-[[6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]amino]piperidin-1-yl]benzamide?

The canonical SMILES for N-hydroxy-4-[4-[[6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]amino]piperidin-1-yl]benzamide is COc1cc2c(NC3CCN(c4ccc(C(=O)NO)cc4)CC3)cc(-c3ccc(C)o3)nc2cc1OCCCN1CCCC1.

What is the InChIKey of N-hydroxy-4-[4-[[6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]amino]piperidin-1-yl]benzamide?

The InChIKey is LZYFRBDZTMNLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H41N5O5/c1-23-6-11-31(44-23)30-21-28(35-25-12-17-39(18-13-25)26-9-7-24(8-10-26)34(40)37-41)27-20-32(42-2)33(22-29(27)36-30)43-19-5-16-38-14-3-4-15-38/h6-11,20-22,25,41H,3-5,12-19H2,1-2H3,(H,35,36)(H,37,40).

What are the key properties of N-hydroxy-4-[4-[[6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]amino]piperidin-1-yl]benzamide?

N-hydroxy-4-[4-[[6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]amino]piperidin-1-yl]benzamide has a molecular weight of 599.73 g/mol, XLogP of 5.88, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-hydroxy-4-[4-[[6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]amino]piperidin-1-yl]benzamide is sourced from PubChem (CID 142495365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).