3-N,5-N-bis[4-[(6-methoxyquinolin-8-yl)amino]pentyl]pyridine-3,5-dicarboxamide;hydrochloride

C37H44ClN7O4 — CID 53324732

About 3-N,5-N-bis[4-[(6-methoxyquinolin-8-yl)amino]pentyl]pyridine-3,5-dicarboxamide;hydrochloride

3-N,5-N-bis[4-[(6-methoxyquinolin-8-yl)amino]pentyl]pyridine-3,5-dicarboxamide;hydrochloride (PubChem CID 53324732) has the molecular formula C37H44ClN7O4 and a molecular weight of 686.26 g/mol. Its IUPAC name is 3-N,5-N-bis[4-[(6-methoxyquinolin-8-yl)amino]pentyl]pyridine-3,5-dicarboxamide;hydrochloride.

Molecular Properties

• Compound Name: 3-N,5-N-bis[4-[(6-methoxyquinolin-8-yl)amino]pentyl]pyridine-3,5-dicarboxamide;hydrochloride
• PubChem CID: 53324732
• Molecular Formula: C37H44ClN7O4
• Molecular Weight: 686.26 g/mol
• Exact Mass: 685.31
• IUPAC Name: 3-N,5-N-bis[4-[(6-methoxyquinolin-8-yl)amino]pentyl]pyridine-3,5-dicarboxamide;hydrochloride
• SMILES: COc1cc(NC(C)CCCNC(=O)c2cncc(C(=O)NCCCC(C)Nc3cc(OC)cc4cccnc34)c2)c2ncccc2c1.Cl
• InChI: InChI=1S/C37H43N7O4.ClH/c1-24(43-32-20-30(47-3)18-26-11-7-13-39-34(26)32)9-5-15-41-36(45)28-17-29(23-38-22-28)37(46)42-16-6-10-25(2)44-33-21-31(48-4)19-27-12-8-14-40-35(27)33;/h7-8,11-14,17-25,43-44H,5-6,9-10,15-16H2,1-4H3,(H,41,45)(H,42,46);1H
• InChIKey: VZYNOLFBHLDSTG-UHFFFAOYSA-N
• XLogP: 6.64
• TPSA: 139.39 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 16
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	686.26
LogP ≤ 5	6.64
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-N,5-N-bis[4-[(6-methoxyquinolin-8-yl)amino]pentyl]pyridine-3,5-dicarboxamide;hydrochloride?

The IUPAC name of 3-N,5-N-bis[4-[(6-methoxyquinolin-8-yl)amino]pentyl]pyridine-3,5-dicarboxamide;hydrochloride (CID 53324732) is 3-N,5-N-bis[4-[(6-methoxyquinolin-8-yl)amino]pentyl]pyridine-3,5-dicarboxamide;hydrochloride.

What is the SMILES notation for 3-N,5-N-bis[4-[(6-methoxyquinolin-8-yl)amino]pentyl]pyridine-3,5-dicarboxamide;hydrochloride?

The canonical SMILES for 3-N,5-N-bis[4-[(6-methoxyquinolin-8-yl)amino]pentyl]pyridine-3,5-dicarboxamide;hydrochloride is COc1cc(NC(C)CCCNC(=O)c2cncc(C(=O)NCCCC(C)Nc3cc(OC)cc4cccnc34)c2)c2ncccc2c1.Cl.

What is the InChIKey of 3-N,5-N-bis[4-[(6-methoxyquinolin-8-yl)amino]pentyl]pyridine-3,5-dicarboxamide;hydrochloride?

The InChIKey is VZYNOLFBHLDSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H43N7O4.ClH/c1-24(43-32-20-30(47-3)18-26-11-7-13-39-34(26)32)9-5-15-41-36(45)28-17-29(23-38-22-28)37(46)42-16-6-10-25(2)44-33-21-31(48-4)19-27-12-8-14-40-35(27)33;/h7-8,11-14,17-25,43-44H,5-6,9-10,15-16H2,1-4H3,(H,41,45)(H,42,46);1H.

What are the key properties of 3-N,5-N-bis[4-[(6-methoxyquinolin-8-yl)amino]pentyl]pyridine-3,5-dicarboxamide;hydrochloride?

3-N,5-N-bis[4-[(6-methoxyquinolin-8-yl)amino]pentyl]pyridine-3,5-dicarboxamide;hydrochloride has a molecular weight of 686.26 g/mol, XLogP of 6.64, 16 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-N,5-N-bis[4-[(6-methoxyquinolin-8-yl)amino]pentyl]pyridine-3,5-dicarboxamide;hydrochloride is sourced from PubChem (CID 53324732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).