2-(1H-indol-3-yl)ethyl N-[5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl]carbamate

C29H33ClN4O2 — CID 11341105

IUPAC2-(1H-indol-3-yl)ethyl N-[5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl]carbamate
SMILESO=C(NCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2)OCCc1c[nH]c2ccccc12
InChIInChI=1S/C29H33ClN4O2/c30-21-12-13-24-27(18-21)34-26-11-5-3-9-23(26)28(24)31-15-6-1-7-16-32-29(35)36-17-14-20-19-33-25-10-4-2-8-22(20)25/h2,4,8,10,12-13,18-19,33H,1,3,5-7,9,11,14-17H2,(H,31,34)(H,32,35)
InChIKeyLYBXKEJTVIPNNF-UHFFFAOYSA-N
MW505.06 g/mol
LogP6.80
Rot. Bonds10

About 2-(1H-indol-3-yl)ethyl N-[5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl]carbamate

2-(1H-indol-3-yl)ethyl N-[5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl]carbamate (PubChem CID 11341105) has the molecular formula C29H33ClN4O2 and a molecular weight of 505.06 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)ethyl N-[5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl]carbamate.

Molecular Properties

Compound Name2-(1H-indol-3-yl)ethyl N-[5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl]carbamate
PubChem CID11341105
Molecular FormulaC29H33ClN4O2
Molecular Weight505.06 g/mol
Exact Mass504.23
IUPAC Name2-(1H-indol-3-yl)ethyl N-[5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl]carbamate
SMILESO=C(NCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2)OCCc1c[nH]c2ccccc12
InChIInChI=1S/C29H33ClN4O2/c30-21-12-13-24-27(18-21)34-26-11-5-3-9-23(26)28(24)31-15-6-1-7-16-32-29(35)36-17-14-20-19-33-25-10-4-2-8-22(20)25/h2,4,8,10,12-13,18-19,33H,1,3,5-7,9,11,14-17H2,(H,31,34)(H,32,35)
InChIKeyLYBXKEJTVIPNNF-UHFFFAOYSA-N
XLogP6.80
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.06
LogP ≤ 56.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(1H-indol-3-yl)ethyl N-[5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)ethyl N-[5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl]carbamate?
The IUPAC name of 2-(1H-indol-3-yl)ethyl N-[5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl]carbamate (CID 11341105) is 2-(1H-indol-3-yl)ethyl N-[5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl]carbamate.
What is the SMILES notation for 2-(1H-indol-3-yl)ethyl N-[5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl]carbamate?
The canonical SMILES for 2-(1H-indol-3-yl)ethyl N-[5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl]carbamate is O=C(NCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2)OCCc1c[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indol-3-yl)ethyl N-[5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl]carbamate?
The InChIKey is LYBXKEJTVIPNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33ClN4O2/c30-21-12-13-24-27(18-21)34-26-11-5-3-9-23(26)28(24)31-15-6-1-7-16-32-29(35)36-17-14-20-19-33-25-10-4-2-8-22(20)25/h2,4,8,10,12-13,18-19,33H,1,3,5-7,9,11,14-17H2,(H,31,34)(H,32,35).
What are the key properties of 2-(1H-indol-3-yl)ethyl N-[5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl]carbamate?
2-(1H-indol-3-yl)ethyl N-[5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl]carbamate has a molecular weight of 505.06 g/mol, XLogP of 6.80, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)ethyl N-[5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl]carbamate is sourced from PubChem (CID 11341105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).