4-[3-(3-chloro-6-methoxyquinolin-4-yl)propyl]-N-hydroxy-1-(4-pyridin-4-ylbutyl)piperidine-4-carboxamide

C28H35ClN4O3 — CID 22470767

About 4-[3-(3-chloro-6-methoxyquinolin-4-yl)propyl]-N-hydroxy-1-(4-pyridin-4-ylbutyl)piperidine-4-carboxamide

4-[3-(3-chloro-6-methoxyquinolin-4-yl)propyl]-N-hydroxy-1-(4-pyridin-4-ylbutyl)piperidine-4-carboxamide (PubChem CID 22470767) has the molecular formula C28H35ClN4O3 and a molecular weight of 511.07 g/mol. Its IUPAC name is 4-[3-(3-chloro-6-methoxyquinolin-4-yl)propyl]-N-hydroxy-1-(4-pyridin-4-ylbutyl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 4-[3-(3-chloro-6-methoxyquinolin-4-yl)propyl]-N-hydroxy-1-(4-pyridin-4-ylbutyl)piperidine-4-carboxamide
• PubChem CID: 22470767
• Molecular Formula: C28H35ClN4O3
• Molecular Weight: 511.07 g/mol
• Exact Mass: 510.24
• IUPAC Name: 4-[3-(3-chloro-6-methoxyquinolin-4-yl)propyl]-N-hydroxy-1-(4-pyridin-4-ylbutyl)piperidine-4-carboxamide
• SMILES: COc1ccc2ncc(Cl)c(CCCC3(C(=O)NO)CCN(CCCCc4ccncc4)CC3)c2c1
• InChI: InChI=1S/C28H35ClN4O3/c1-36-22-7-8-26-24(19-22)23(25(29)20-31-26)6-4-11-28(27(34)32-35)12-17-33(18-13-28)16-3-2-5-21-9-14-30-15-10-21/h7-10,14-15,19-20,35H,2-6,11-13,16-18H2,1H3,(H,32,34)
• InChIKey: DBJWLCNDARLHHR-UHFFFAOYSA-N
• XLogP: 5.22
• TPSA: 87.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.07
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

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 4-[3-(3-chloro-6-methoxyquinolin-4-yl)propyl]-N-hydroxy-1-(4-pyridin-4-ylbutyl)piperidine-4-carboxamide?

The IUPAC name of 4-[3-(3-chloro-6-methoxyquinolin-4-yl)propyl]-N-hydroxy-1-(4-pyridin-4-ylbutyl)piperidine-4-carboxamide (CID 22470767) is 4-[3-(3-chloro-6-methoxyquinolin-4-yl)propyl]-N-hydroxy-1-(4-pyridin-4-ylbutyl)piperidine-4-carboxamide.

What is the SMILES notation for 4-[3-(3-chloro-6-methoxyquinolin-4-yl)propyl]-N-hydroxy-1-(4-pyridin-4-ylbutyl)piperidine-4-carboxamide?

The canonical SMILES for 4-[3-(3-chloro-6-methoxyquinolin-4-yl)propyl]-N-hydroxy-1-(4-pyridin-4-ylbutyl)piperidine-4-carboxamide is COc1ccc2ncc(Cl)c(CCCC3(C(=O)NO)CCN(CCCCc4ccncc4)CC3)c2c1.

What is the InChIKey of 4-[3-(3-chloro-6-methoxyquinolin-4-yl)propyl]-N-hydroxy-1-(4-pyridin-4-ylbutyl)piperidine-4-carboxamide?

The InChIKey is DBJWLCNDARLHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35ClN4O3/c1-36-22-7-8-26-24(19-22)23(25(29)20-31-26)6-4-11-28(27(34)32-35)12-17-33(18-13-28)16-3-2-5-21-9-14-30-15-10-21/h7-10,14-15,19-20,35H,2-6,11-13,16-18H2,1H3,(H,32,34).

What are the key properties of 4-[3-(3-chloro-6-methoxyquinolin-4-yl)propyl]-N-hydroxy-1-(4-pyridin-4-ylbutyl)piperidine-4-carboxamide?

4-[3-(3-chloro-6-methoxyquinolin-4-yl)propyl]-N-hydroxy-1-(4-pyridin-4-ylbutyl)piperidine-4-carboxamide has a molecular weight of 511.07 g/mol, XLogP of 5.22, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-(3-chloro-6-methoxyquinolin-4-yl)propyl]-N-hydroxy-1-(4-pyridin-4-ylbutyl)piperidine-4-carboxamide is sourced from PubChem (CID 22470767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).