N-[5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl]-1H-indole-3-carboxamide

C27H29ClN4O — CID 11669798

IUPACN-[5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl]-1H-indole-3-carboxamide
SMILESO=C(NCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2)c1c[nH]c2ccccc12
InChIInChI=1S/C27H29ClN4O/c28-18-12-13-21-25(16-18)32-24-11-5-3-9-20(24)26(21)29-14-6-1-7-15-30-27(33)22-17-31-23-10-4-2-8-19(22)23/h2,4,8,10,12-13,16-17,31H,1,3,5-7,9,11,14-15H2,(H,29,32)(H,30,33)
InChIKeyWRZLBZPGOSUCKT-UHFFFAOYSA-N
MW461.01 g/mol
LogP6.26
Rot. Bonds8

About N-[5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl]-1H-indole-3-carboxamide

N-[5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl]-1H-indole-3-carboxamide (PubChem CID 11669798) has the molecular formula C27H29ClN4O and a molecular weight of 461.01 g/mol. Its IUPAC name is N-[5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl]-1H-indole-3-carboxamide
PubChem CID11669798
Molecular FormulaC27H29ClN4O
Molecular Weight461.01 g/mol
Exact Mass460.20
IUPAC NameN-[5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl]-1H-indole-3-carboxamide
SMILESO=C(NCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2)c1c[nH]c2ccccc12
InChIInChI=1S/C27H29ClN4O/c28-18-12-13-21-25(16-18)32-24-11-5-3-9-20(24)26(21)29-14-6-1-7-15-30-27(33)22-17-31-23-10-4-2-8-19(22)23/h2,4,8,10,12-13,16-17,31H,1,3,5-7,9,11,14-15H2,(H,29,32)(H,30,33)
InChIKeyWRZLBZPGOSUCKT-UHFFFAOYSA-N
XLogP6.26
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.01
LogP ≤ 56.26
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 N-[5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl]-1H-indole-3-carboxamide?
The IUPAC name of N-[5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl]-1H-indole-3-carboxamide (CID 11669798) is N-[5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl]-1H-indole-3-carboxamide?
The canonical SMILES for N-[5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl]-1H-indole-3-carboxamide is O=C(NCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2)c1c[nH]c2ccccc12.
What is the InChIKey of N-[5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl]-1H-indole-3-carboxamide?
The InChIKey is WRZLBZPGOSUCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClN4O/c28-18-12-13-21-25(16-18)32-24-11-5-3-9-20(24)26(21)29-14-6-1-7-15-30-27(33)22-17-31-23-10-4-2-8-19(22)23/h2,4,8,10,12-13,16-17,31H,1,3,5-7,9,11,14-15H2,(H,29,32)(H,30,33).
What are the key properties of N-[5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl]-1H-indole-3-carboxamide?
N-[5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl]-1H-indole-3-carboxamide has a molecular weight of 461.01 g/mol, XLogP of 6.26, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 11669798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).