N-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]-1H-indole-3-carboxamide

C29H33ClN4O — CID 11465956

IUPACN-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]-1H-indole-3-carboxamide
SMILESO=C(NCCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2)c1c[nH]c2ccccc12
InChIInChI=1S/C29H33ClN4O/c30-20-14-15-23-27(18-20)34-26-13-7-5-11-22(26)28(23)31-16-8-2-1-3-9-17-32-29(35)24-19-33-25-12-6-4-10-21(24)25/h4,6,10,12,14-15,18-19,33H,1-3,5,7-9,11,13,16-17H2,(H,31,34)(H,32,35)
InChIKeyFAYCJMALFQZDBF-UHFFFAOYSA-N
MW489.06 g/mol
LogP7.04
Rot. Bonds10

About N-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]-1H-indole-3-carboxamide

N-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]-1H-indole-3-carboxamide (PubChem CID 11465956) has the molecular formula C29H33ClN4O and a molecular weight of 489.06 g/mol. Its IUPAC name is N-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]-1H-indole-3-carboxamide
PubChem CID11465956
Molecular FormulaC29H33ClN4O
Molecular Weight489.06 g/mol
Exact Mass488.23
IUPAC NameN-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]-1H-indole-3-carboxamide
SMILESO=C(NCCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2)c1c[nH]c2ccccc12
InChIInChI=1S/C29H33ClN4O/c30-20-14-15-23-27(18-20)34-26-13-7-5-11-22(26)28(23)31-16-8-2-1-3-9-17-32-29(35)24-19-33-25-12-6-4-10-21(24)25/h4,6,10,12,14-15,18-19,33H,1-3,5,7-9,11,13,16-17H2,(H,31,34)(H,32,35)
InChIKeyFAYCJMALFQZDBF-UHFFFAOYSA-N
XLogP7.04
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 ≤ 57.04
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-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]-1H-indole-3-carboxamide?
The IUPAC name of N-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]-1H-indole-3-carboxamide (CID 11465956) is N-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]-1H-indole-3-carboxamide?
The canonical SMILES for N-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]-1H-indole-3-carboxamide is O=C(NCCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2)c1c[nH]c2ccccc12.
What is the InChIKey of N-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]-1H-indole-3-carboxamide?
The InChIKey is FAYCJMALFQZDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33ClN4O/c30-20-14-15-23-27(18-20)34-26-13-7-5-11-22(26)28(23)31-16-8-2-1-3-9-17-32-29(35)24-19-33-25-12-6-4-10-21(24)25/h4,6,10,12,14-15,18-19,33H,1-3,5,7-9,11,13,16-17H2,(H,31,34)(H,32,35).
What are the key properties of N-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]-1H-indole-3-carboxamide?
N-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]-1H-indole-3-carboxamide has a molecular weight of 489.06 g/mol, XLogP of 7.04, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 11465956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).