2-(1H-indol-3-yl)ethyl N-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]carbamate

C31H37ClN4O2 — CID 11455410

IUPAC2-(1H-indol-3-yl)ethyl N-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]carbamate
SMILESO=C(NCCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2)OCCc1c[nH]c2ccccc12
InChIInChI=1S/C31H37ClN4O2/c32-23-14-15-26-29(20-23)36-28-13-7-5-11-25(28)30(26)33-17-8-2-1-3-9-18-34-31(37)38-19-16-22-21-35-27-12-6-4-10-24(22)27/h4,6,10,12,14-15,20-21,35H,1-3,5,7-9,11,13,16-19H2,(H,33,36)(H,34,37)
InChIKeyZFUVJAHCCTWEQC-UHFFFAOYSA-N
MW533.12 g/mol
LogP7.58
Rot. Bonds12

About 2-(1H-indol-3-yl)ethyl N-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]carbamate

2-(1H-indol-3-yl)ethyl N-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]carbamate (PubChem CID 11455410) has the molecular formula C31H37ClN4O2 and a molecular weight of 533.12 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)ethyl N-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]carbamate.

Molecular Properties

Compound Name2-(1H-indol-3-yl)ethyl N-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]carbamate
PubChem CID11455410
Molecular FormulaC31H37ClN4O2
Molecular Weight533.12 g/mol
Exact Mass532.26
IUPAC Name2-(1H-indol-3-yl)ethyl N-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]carbamate
SMILESO=C(NCCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2)OCCc1c[nH]c2ccccc12
InChIInChI=1S/C31H37ClN4O2/c32-23-14-15-26-29(20-23)36-28-13-7-5-11-25(28)30(26)33-17-8-2-1-3-9-18-34-31(37)38-19-16-22-21-35-27-12-6-4-10-24(22)27/h4,6,10,12,14-15,20-21,35H,1-3,5,7-9,11,13,16-19H2,(H,33,36)(H,34,37)
InChIKeyZFUVJAHCCTWEQC-UHFFFAOYSA-N
XLogP7.58
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.12
LogP ≤ 57.58
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-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]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-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]carbamate?
The IUPAC name of 2-(1H-indol-3-yl)ethyl N-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]carbamate (CID 11455410) is 2-(1H-indol-3-yl)ethyl N-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]carbamate.
What is the SMILES notation for 2-(1H-indol-3-yl)ethyl N-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]carbamate?
The canonical SMILES for 2-(1H-indol-3-yl)ethyl N-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]carbamate is O=C(NCCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2)OCCc1c[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indol-3-yl)ethyl N-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]carbamate?
The InChIKey is ZFUVJAHCCTWEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37ClN4O2/c32-23-14-15-26-29(20-23)36-28-13-7-5-11-25(28)30(26)33-17-8-2-1-3-9-18-34-31(37)38-19-16-22-21-35-27-12-6-4-10-24(22)27/h4,6,10,12,14-15,20-21,35H,1-3,5,7-9,11,13,16-19H2,(H,33,36)(H,34,37).
What are the key properties of 2-(1H-indol-3-yl)ethyl N-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]carbamate?
2-(1H-indol-3-yl)ethyl N-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]carbamate has a molecular weight of 533.12 g/mol, XLogP of 7.58, 12 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-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]carbamate is sourced from PubChem (CID 11455410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).