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

C29H33FN4O — CID 155510526

IUPAC6-[(7-fluoro-1,2,3,4-tetrahydroacridin-9-yl)amino]-N-[2-(1H-indol-3-yl)ethyl]hexanamide
SMILESO=C(CCCCCNc1c2c(nc3ccc(F)cc13)CCCC2)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C29H33FN4O/c30-21-13-14-27-24(18-21)29(23-9-4-6-11-26(23)34-27)32-16-7-1-2-12-28(35)31-17-15-20-19-33-25-10-5-3-8-22(20)25/h3,5,8,10,13-14,18-19,33H,1-2,4,6-7,9,11-12,15-17H2,(H,31,35)(H,32,34)
InChIKeyLGILPGZORHPBQY-UHFFFAOYSA-N
MW472.61 g/mol
LogP6.07
Rot. Bonds10

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

6-[(7-fluoro-1,2,3,4-tetrahydroacridin-9-yl)amino]-N-[2-(1H-indol-3-yl)ethyl]hexanamide (PubChem CID 155510526) has the molecular formula C29H33FN4O and a molecular weight of 472.61 g/mol. Its IUPAC name is 6-[(7-fluoro-1,2,3,4-tetrahydroacridin-9-yl)amino]-N-[2-(1H-indol-3-yl)ethyl]hexanamide.

Molecular Properties

Compound Name6-[(7-fluoro-1,2,3,4-tetrahydroacridin-9-yl)amino]-N-[2-(1H-indol-3-yl)ethyl]hexanamide
PubChem CID155510526
Molecular FormulaC29H33FN4O
Molecular Weight472.61 g/mol
Exact Mass472.26
IUPAC Name6-[(7-fluoro-1,2,3,4-tetrahydroacridin-9-yl)amino]-N-[2-(1H-indol-3-yl)ethyl]hexanamide
SMILESO=C(CCCCCNc1c2c(nc3ccc(F)cc13)CCCC2)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C29H33FN4O/c30-21-13-14-27-24(18-21)29(23-9-4-6-11-26(23)34-27)32-16-7-1-2-12-28(35)31-17-15-20-19-33-25-10-5-3-8-22(20)25/h3,5,8,10,13-14,18-19,33H,1-2,4,6-7,9,11-12,15-17H2,(H,31,35)(H,32,34)
InChIKeyLGILPGZORHPBQY-UHFFFAOYSA-N
XLogP6.07
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.61
LogP ≤ 56.07
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-[(7-fluoro-1,2,3,4-tetrahydroacridin-9-yl)amino]-N-[2-(1H-indol-3-yl)ethyl]hexanamide?
The IUPAC name of 6-[(7-fluoro-1,2,3,4-tetrahydroacridin-9-yl)amino]-N-[2-(1H-indol-3-yl)ethyl]hexanamide (CID 155510526) is 6-[(7-fluoro-1,2,3,4-tetrahydroacridin-9-yl)amino]-N-[2-(1H-indol-3-yl)ethyl]hexanamide.
What is the SMILES notation for 6-[(7-fluoro-1,2,3,4-tetrahydroacridin-9-yl)amino]-N-[2-(1H-indol-3-yl)ethyl]hexanamide?
The canonical SMILES for 6-[(7-fluoro-1,2,3,4-tetrahydroacridin-9-yl)amino]-N-[2-(1H-indol-3-yl)ethyl]hexanamide is O=C(CCCCCNc1c2c(nc3ccc(F)cc13)CCCC2)NCCc1c[nH]c2ccccc12.
What is the InChIKey of 6-[(7-fluoro-1,2,3,4-tetrahydroacridin-9-yl)amino]-N-[2-(1H-indol-3-yl)ethyl]hexanamide?
The InChIKey is LGILPGZORHPBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33FN4O/c30-21-13-14-27-24(18-21)29(23-9-4-6-11-26(23)34-27)32-16-7-1-2-12-28(35)31-17-15-20-19-33-25-10-5-3-8-22(20)25/h3,5,8,10,13-14,18-19,33H,1-2,4,6-7,9,11-12,15-17H2,(H,31,35)(H,32,34).
What are the key properties of 6-[(7-fluoro-1,2,3,4-tetrahydroacridin-9-yl)amino]-N-[2-(1H-indol-3-yl)ethyl]hexanamide?
6-[(7-fluoro-1,2,3,4-tetrahydroacridin-9-yl)amino]-N-[2-(1H-indol-3-yl)ethyl]hexanamide has a molecular weight of 472.61 g/mol, XLogP of 6.07, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(7-fluoro-1,2,3,4-tetrahydroacridin-9-yl)amino]-N-[2-(1H-indol-3-yl)ethyl]hexanamide is sourced from PubChem (CID 155510526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).