6-[(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)amino]-N-[2-(1H-indol-3-yl)ethyl]hexanamide

C29H32Cl2N4O — CID 11555885

IUPAC6-[(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)amino]-N-[2-(1H-indol-3-yl)ethyl]hexanamide
SMILESO=C(CCCCCNc1c2c(nc3cc(Cl)cc(Cl)c13)CCCC2)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C29H32Cl2N4O/c30-20-16-23(31)28-26(17-20)35-25-11-6-4-9-22(25)29(28)33-14-7-1-2-12-27(36)32-15-13-19-18-34-24-10-5-3-8-21(19)24/h3,5,8,10,16-18,34H,1-2,4,6-7,9,11-15H2,(H,32,36)(H,33,35)
InChIKeyXUNDGPOBBOBIHO-UHFFFAOYSA-N
MW523.51 g/mol
LogP7.23
Rot. Bonds10

About 6-[(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)amino]-N-[2-(1H-indol-3-yl)ethyl]hexanamide

6-[(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)amino]-N-[2-(1H-indol-3-yl)ethyl]hexanamide (PubChem CID 11555885) has the molecular formula C29H32Cl2N4O and a molecular weight of 523.51 g/mol. Its IUPAC name is 6-[(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)amino]-N-[2-(1H-indol-3-yl)ethyl]hexanamide.

Molecular Properties

Compound Name6-[(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)amino]-N-[2-(1H-indol-3-yl)ethyl]hexanamide
PubChem CID11555885
Molecular FormulaC29H32Cl2N4O
Molecular Weight523.51 g/mol
Exact Mass522.20
IUPAC Name6-[(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)amino]-N-[2-(1H-indol-3-yl)ethyl]hexanamide
SMILESO=C(CCCCCNc1c2c(nc3cc(Cl)cc(Cl)c13)CCCC2)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C29H32Cl2N4O/c30-20-16-23(31)28-26(17-20)35-25-11-6-4-9-22(25)29(28)33-14-7-1-2-12-27(36)32-15-13-19-18-34-24-10-5-3-8-21(19)24/h3,5,8,10,16-18,34H,1-2,4,6-7,9,11-15H2,(H,32,36)(H,33,35)
InChIKeyXUNDGPOBBOBIHO-UHFFFAOYSA-N
XLogP7.23
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.51
LogP ≤ 57.23
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-[(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)amino]-N-[2-(1H-indol-3-yl)ethyl]hexanamide?
The IUPAC name of 6-[(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)amino]-N-[2-(1H-indol-3-yl)ethyl]hexanamide (CID 11555885) is 6-[(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)amino]-N-[2-(1H-indol-3-yl)ethyl]hexanamide.
What is the SMILES notation for 6-[(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)amino]-N-[2-(1H-indol-3-yl)ethyl]hexanamide?
The canonical SMILES for 6-[(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)amino]-N-[2-(1H-indol-3-yl)ethyl]hexanamide is O=C(CCCCCNc1c2c(nc3cc(Cl)cc(Cl)c13)CCCC2)NCCc1c[nH]c2ccccc12.
What is the InChIKey of 6-[(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)amino]-N-[2-(1H-indol-3-yl)ethyl]hexanamide?
The InChIKey is XUNDGPOBBOBIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32Cl2N4O/c30-20-16-23(31)28-26(17-20)35-25-11-6-4-9-22(25)29(28)33-14-7-1-2-12-27(36)32-15-13-19-18-34-24-10-5-3-8-21(19)24/h3,5,8,10,16-18,34H,1-2,4,6-7,9,11-15H2,(H,32,36)(H,33,35).
What are the key properties of 6-[(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)amino]-N-[2-(1H-indol-3-yl)ethyl]hexanamide?
6-[(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)amino]-N-[2-(1H-indol-3-yl)ethyl]hexanamide has a molecular weight of 523.51 g/mol, XLogP of 7.23, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)amino]-N-[2-(1H-indol-3-yl)ethyl]hexanamide is sourced from PubChem (CID 11555885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).