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

C29H33ClN4O — CID 155519504

IUPAC6-[(5-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]-N-[2-(1H-indol-3-yl)ethyl]hexanamide
SMILESO=C(CCCCCNc1c2c(nc3c(Cl)cccc13)CCCC2)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C29H33ClN4O/c30-24-12-8-11-23-28(22-10-4-6-14-26(22)34-29(23)24)32-17-7-1-2-15-27(35)31-18-16-20-19-33-25-13-5-3-9-21(20)25/h3,5,8-9,11-13,19,33H,1-2,4,6-7,10,14-18H2,(H,31,35)(H,32,34)
InChIKeyBEMISNBRNRNQHM-UHFFFAOYSA-N
MW489.06 g/mol
LogP6.58
Rot. Bonds10

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

6-[(5-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]-N-[2-(1H-indol-3-yl)ethyl]hexanamide (PubChem CID 155519504) has the molecular formula C29H33ClN4O and a molecular weight of 489.06 g/mol. Its IUPAC name is 6-[(5-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]-N-[2-(1H-indol-3-yl)ethyl]hexanamide.

Molecular Properties

Compound Name6-[(5-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]-N-[2-(1H-indol-3-yl)ethyl]hexanamide
PubChem CID155519504
Molecular FormulaC29H33ClN4O
Molecular Weight489.06 g/mol
Exact Mass488.23
IUPAC Name6-[(5-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]-N-[2-(1H-indol-3-yl)ethyl]hexanamide
SMILESO=C(CCCCCNc1c2c(nc3c(Cl)cccc13)CCCC2)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C29H33ClN4O/c30-24-12-8-11-23-28(22-10-4-6-14-26(22)34-29(23)24)32-17-7-1-2-15-27(35)31-18-16-20-19-33-25-13-5-3-9-21(20)25/h3,5,8-9,11-13,19,33H,1-2,4,6-7,10,14-18H2,(H,31,35)(H,32,34)
InChIKeyBEMISNBRNRNQHM-UHFFFAOYSA-N
XLogP6.58
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.06
LogP ≤ 56.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 6-[(5-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]-N-[2-(1H-indol-3-yl)ethyl]hexanamide?
The IUPAC name of 6-[(5-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]-N-[2-(1H-indol-3-yl)ethyl]hexanamide (CID 155519504) is 6-[(5-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]-N-[2-(1H-indol-3-yl)ethyl]hexanamide.
What is the SMILES notation for 6-[(5-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]-N-[2-(1H-indol-3-yl)ethyl]hexanamide?
The canonical SMILES for 6-[(5-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]-N-[2-(1H-indol-3-yl)ethyl]hexanamide is O=C(CCCCCNc1c2c(nc3c(Cl)cccc13)CCCC2)NCCc1c[nH]c2ccccc12.
What is the InChIKey of 6-[(5-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]-N-[2-(1H-indol-3-yl)ethyl]hexanamide?
The InChIKey is BEMISNBRNRNQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33ClN4O/c30-24-12-8-11-23-28(22-10-4-6-14-26(22)34-29(23)24)32-17-7-1-2-15-27(35)31-18-16-20-19-33-25-13-5-3-9-21(20)25/h3,5,8-9,11-13,19,33H,1-2,4,6-7,10,14-18H2,(H,31,35)(H,32,34).
What are the key properties of 6-[(5-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]-N-[2-(1H-indol-3-yl)ethyl]hexanamide?
6-[(5-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]-N-[2-(1H-indol-3-yl)ethyl]hexanamide has a molecular weight of 489.06 g/mol, XLogP of 6.58, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]-N-[2-(1H-indol-3-yl)ethyl]hexanamide is sourced from PubChem (CID 155519504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).