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

C30H35ClN4O2 — CID 11329824

IUPAC2-(1H-indol-3-yl)ethyl N-[6-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl]carbamate
SMILESO=C(NCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2)OCCc1c[nH]c2ccccc12
InChIInChI=1S/C30H35ClN4O2/c31-22-13-14-25-28(19-22)35-27-12-6-4-10-24(27)29(25)32-16-7-1-2-8-17-33-30(36)37-18-15-21-20-34-26-11-5-3-9-23(21)26/h3,5,9,11,13-14,19-20,34H,1-2,4,6-8,10,12,15-18H2,(H,32,35)(H,33,36)
InChIKeyMIAAPHRABALLRO-UHFFFAOYSA-N
MW519.09 g/mol
LogP7.19
Rot. Bonds11

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

2-(1H-indol-3-yl)ethyl N-[6-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl]carbamate (PubChem CID 11329824) has the molecular formula C30H35ClN4O2 and a molecular weight of 519.09 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)ethyl N-[6-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl]carbamate.

Molecular Properties

Compound Name2-(1H-indol-3-yl)ethyl N-[6-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl]carbamate
PubChem CID11329824
Molecular FormulaC30H35ClN4O2
Molecular Weight519.09 g/mol
Exact Mass518.24
IUPAC Name2-(1H-indol-3-yl)ethyl N-[6-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl]carbamate
SMILESO=C(NCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2)OCCc1c[nH]c2ccccc12
InChIInChI=1S/C30H35ClN4O2/c31-22-13-14-25-28(19-22)35-27-12-6-4-10-24(27)29(25)32-16-7-1-2-8-17-33-30(36)37-18-15-21-20-34-26-11-5-3-9-23(21)26/h3,5,9,11,13-14,19-20,34H,1-2,4,6-8,10,12,15-18H2,(H,32,35)(H,33,36)
InChIKeyMIAAPHRABALLRO-UHFFFAOYSA-N
XLogP7.19
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.09
LogP ≤ 57.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)ethyl N-[6-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl]carbamate?
The IUPAC name of 2-(1H-indol-3-yl)ethyl N-[6-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl]carbamate (CID 11329824) is 2-(1H-indol-3-yl)ethyl N-[6-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl]carbamate.
What is the SMILES notation for 2-(1H-indol-3-yl)ethyl N-[6-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl]carbamate?
The canonical SMILES for 2-(1H-indol-3-yl)ethyl N-[6-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl]carbamate is O=C(NCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2)OCCc1c[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indol-3-yl)ethyl N-[6-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl]carbamate?
The InChIKey is MIAAPHRABALLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35ClN4O2/c31-22-13-14-25-28(19-22)35-27-12-6-4-10-24(27)29(25)32-16-7-1-2-8-17-33-30(36)37-18-15-21-20-34-26-11-5-3-9-23(21)26/h3,5,9,11,13-14,19-20,34H,1-2,4,6-8,10,12,15-18H2,(H,32,35)(H,33,36).
What are the key properties of 2-(1H-indol-3-yl)ethyl N-[6-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl]carbamate?
2-(1H-indol-3-yl)ethyl N-[6-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl]carbamate has a molecular weight of 519.09 g/mol, XLogP of 7.19, 11 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-[6-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl]carbamate is sourced from PubChem (CID 11329824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).