N-[2-[3-[5-(2-amino-3-pentylquinolin-5-yl)pentylamino]-3-oxopropoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide

C31H43N5O5 — CID 129200097

About N-[2-[3-[5-(2-amino-3-pentylquinolin-5-yl)pentylamino]-3-oxopropoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide

N-[2-[3-[5-(2-amino-3-pentylquinolin-5-yl)pentylamino]-3-oxopropoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide (PubChem CID 129200097) has the molecular formula C31H43N5O5 and a molecular weight of 565.72 g/mol. Its IUPAC name is N-[2-[3-[5-(2-amino-3-pentylquinolin-5-yl)pentylamino]-3-oxopropoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide.

Molecular Properties

• Compound Name: N-[2-[3-[5-(2-amino-3-pentylquinolin-5-yl)pentylamino]-3-oxopropoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
• PubChem CID: 129200097
• Molecular Formula: C31H43N5O5
• Molecular Weight: 565.72 g/mol
• Exact Mass: 565.33
• IUPAC Name: N-[2-[3-[5-(2-amino-3-pentylquinolin-5-yl)pentylamino]-3-oxopropoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
• SMILES: CCCCCc1cc2c(CCCCCNC(=O)CCOCCNC(=O)CCN3C(=O)C=CC3=O)cccc2nc1N
• InChI: InChI=1S/C31H43N5O5/c1-2-3-5-10-24-22-25-23(11-8-12-26(25)35-31(24)32)9-6-4-7-17-33-28(38)16-20-41-21-18-34-27(37)15-19-36-29(39)13-14-30(36)40/h8,11-14,22H,2-7,9-10,15-21H2,1H3,(H2,32,35)(H,33,38)(H,34,37)
• InChIKey: ABXGWECTDXVGAR-UHFFFAOYSA-N
• XLogP: 3.22
• TPSA: 143.72 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 19
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	565.72
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[5-(2-amino-3-pentylquinolin-5-yl)pentylamino]-3-oxopropoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?

The IUPAC name of N-[2-[3-[5-(2-amino-3-pentylquinolin-5-yl)pentylamino]-3-oxopropoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide (CID 129200097) is N-[2-[3-[5-(2-amino-3-pentylquinolin-5-yl)pentylamino]-3-oxopropoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide.

What is the SMILES notation for N-[2-[3-[5-(2-amino-3-pentylquinolin-5-yl)pentylamino]-3-oxopropoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?

The canonical SMILES for N-[2-[3-[5-(2-amino-3-pentylquinolin-5-yl)pentylamino]-3-oxopropoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide is CCCCCc1cc2c(CCCCCNC(=O)CCOCCNC(=O)CCN3C(=O)C=CC3=O)cccc2nc1N.

What is the InChIKey of N-[2-[3-[5-(2-amino-3-pentylquinolin-5-yl)pentylamino]-3-oxopropoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?

The InChIKey is ABXGWECTDXVGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H43N5O5/c1-2-3-5-10-24-22-25-23(11-8-12-26(25)35-31(24)32)9-6-4-7-17-33-28(38)16-20-41-21-18-34-27(37)15-19-36-29(39)13-14-30(36)40/h8,11-14,22H,2-7,9-10,15-21H2,1H3,(H2,32,35)(H,33,38)(H,34,37).

What are the key properties of N-[2-[3-[5-(2-amino-3-pentylquinolin-5-yl)pentylamino]-3-oxopropoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?

N-[2-[3-[5-(2-amino-3-pentylquinolin-5-yl)pentylamino]-3-oxopropoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide has a molecular weight of 565.72 g/mol, XLogP of 3.22, 19 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3-[5-(2-amino-3-pentylquinolin-5-yl)pentylamino]-3-oxopropoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide is sourced from PubChem (CID 129200097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).