N-[9-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]nonyl]-3-(1H-indol-3-yl)propanamide

C33H41ClN4O — CID 11444151

About N-[9-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]nonyl]-3-(1H-indol-3-yl)propanamide

N-[9-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]nonyl]-3-(1H-indol-3-yl)propanamide (PubChem CID 11444151) has the molecular formula C33H41ClN4O and a molecular weight of 545.17 g/mol. Its IUPAC name is N-[9-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]nonyl]-3-(1H-indol-3-yl)propanamide.

Molecular Properties

• Compound Name: N-[9-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]nonyl]-3-(1H-indol-3-yl)propanamide
• PubChem CID: 11444151
• Molecular Formula: C33H41ClN4O
• Molecular Weight: 545.17 g/mol
• Exact Mass: 544.30
• IUPAC Name: N-[9-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]nonyl]-3-(1H-indol-3-yl)propanamide
• SMILES: O=C(CCc1c[nH]c2ccccc12)NCCCCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2
• InChI: InChI=1S/C33H41ClN4O/c34-25-17-18-28-31(22-25)38-30-15-9-7-13-27(30)33(28)36-21-11-5-3-1-2-4-10-20-35-32(39)19-16-24-23-37-29-14-8-6-12-26(24)29/h6,8,12,14,17-18,22-23,37H,1-5,7,9-11,13,15-16,19-21H2,(H,35,39)(H,36,38)
• InChIKey: BKAXAPFSKYIFDF-UHFFFAOYSA-N
• XLogP: 8.14
• TPSA: 69.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 14
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	545.17
LogP ≤ 5	8.14
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[9-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]nonyl]-3-(1H-indol-3-yl)propanamide?

The IUPAC name of N-[9-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]nonyl]-3-(1H-indol-3-yl)propanamide (CID 11444151) is N-[9-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]nonyl]-3-(1H-indol-3-yl)propanamide.

What is the SMILES notation for N-[9-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]nonyl]-3-(1H-indol-3-yl)propanamide?

The canonical SMILES for N-[9-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]nonyl]-3-(1H-indol-3-yl)propanamide is O=C(CCc1c[nH]c2ccccc12)NCCCCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2.

What is the InChIKey of N-[9-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]nonyl]-3-(1H-indol-3-yl)propanamide?

The InChIKey is BKAXAPFSKYIFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H41ClN4O/c34-25-17-18-28-31(22-25)38-30-15-9-7-13-27(30)33(28)36-21-11-5-3-1-2-4-10-20-35-32(39)19-16-24-23-37-29-14-8-6-12-26(24)29/h6,8,12,14,17-18,22-23,37H,1-5,7,9-11,13,15-16,19-21H2,(H,35,39)(H,36,38).

What are the key properties of N-[9-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]nonyl]-3-(1H-indol-3-yl)propanamide?

N-[9-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]nonyl]-3-(1H-indol-3-yl)propanamide has a molecular weight of 545.17 g/mol, XLogP of 8.14, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[9-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]nonyl]-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 11444151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).