N-(1-quinolin-3-ylpropyl)-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanamide

C25H30N4O — CID 20691582

About N-(1-quinolin-3-ylpropyl)-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanamide

N-(1-quinolin-3-ylpropyl)-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanamide (PubChem CID 20691582) has the molecular formula C25H30N4O and a molecular weight of 402.54 g/mol. Its IUPAC name is N-(1-quinolin-3-ylpropyl)-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanamide.

Molecular Properties

• Compound Name: N-(1-quinolin-3-ylpropyl)-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanamide
• PubChem CID: 20691582
• Molecular Formula: C25H30N4O
• Molecular Weight: 402.54 g/mol
• Exact Mass: 402.24
• IUPAC Name: N-(1-quinolin-3-ylpropyl)-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanamide
• SMILES: CCC(NC(=O)CCCCc1ccc2c(n1)NCCC2)c1cnc2ccccc2c1
• InChI: InChI=1S/C25H30N4O/c1-2-22(20-16-19-8-3-5-11-23(19)27-17-20)29-24(30)12-6-4-10-21-14-13-18-9-7-15-26-25(18)28-21/h3,5,8,11,13-14,16-17,22H,2,4,6-7,9-10,12,15H2,1H3,(H,26,28)(H,29,30)
• InChIKey: SJFMHAFDNAKNBG-UHFFFAOYSA-N
• XLogP: 4.97
• TPSA: 66.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.54
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(1-quinolin-3-ylpropyl)-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanamide?

The IUPAC name of N-(1-quinolin-3-ylpropyl)-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanamide (CID 20691582) is N-(1-quinolin-3-ylpropyl)-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanamide.

What is the SMILES notation for N-(1-quinolin-3-ylpropyl)-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanamide?

The canonical SMILES for N-(1-quinolin-3-ylpropyl)-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanamide is CCC(NC(=O)CCCCc1ccc2c(n1)NCCC2)c1cnc2ccccc2c1.

What is the InChIKey of N-(1-quinolin-3-ylpropyl)-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanamide?

The InChIKey is SJFMHAFDNAKNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O/c1-2-22(20-16-19-8-3-5-11-23(19)27-17-20)29-24(30)12-6-4-10-21-14-13-18-9-7-15-26-25(18)28-21/h3,5,8,11,13-14,16-17,22H,2,4,6-7,9-10,12,15H2,1H3,(H,26,28)(H,29,30).

What are the key properties of N-(1-quinolin-3-ylpropyl)-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanamide?

N-(1-quinolin-3-ylpropyl)-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanamide has a molecular weight of 402.54 g/mol, XLogP of 4.97, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-quinolin-3-ylpropyl)-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanamide is sourced from PubChem (CID 20691582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).