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

C28H31ClN4O — CID 11465667

IUPACN-[6-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl]-1H-indole-3-carboxamide
SMILESO=C(NCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2)c1c[nH]c2ccccc12
InChIInChI=1S/C28H31ClN4O/c29-19-13-14-22-26(17-19)33-25-12-6-4-10-21(25)27(22)30-15-7-1-2-8-16-31-28(34)23-18-32-24-11-5-3-9-20(23)24/h3,5,9,11,13-14,17-18,32H,1-2,4,6-8,10,12,15-16H2,(H,30,33)(H,31,34)
InChIKeyBNYZFCXUCLRASW-UHFFFAOYSA-N
MW475.04 g/mol
LogP6.65
Rot. Bonds9

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

N-[6-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl]-1H-indole-3-carboxamide (PubChem CID 11465667) has the molecular formula C28H31ClN4O and a molecular weight of 475.04 g/mol. Its IUPAC name is N-[6-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[6-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl]-1H-indole-3-carboxamide
PubChem CID11465667
Molecular FormulaC28H31ClN4O
Molecular Weight475.04 g/mol
Exact Mass474.22
IUPAC NameN-[6-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl]-1H-indole-3-carboxamide
SMILESO=C(NCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2)c1c[nH]c2ccccc12
InChIInChI=1S/C28H31ClN4O/c29-19-13-14-22-26(17-19)33-25-12-6-4-10-21(25)27(22)30-15-7-1-2-8-16-31-28(34)23-18-32-24-11-5-3-9-20(23)24/h3,5,9,11,13-14,17-18,32H,1-2,4,6-8,10,12,15-16H2,(H,30,33)(H,31,34)
InChIKeyBNYZFCXUCLRASW-UHFFFAOYSA-N
XLogP6.65
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.04
LogP ≤ 56.65
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-[6-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl]-1H-indole-3-carboxamide?
The IUPAC name of N-[6-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl]-1H-indole-3-carboxamide (CID 11465667) is N-[6-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[6-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl]-1H-indole-3-carboxamide?
The canonical SMILES for N-[6-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl]-1H-indole-3-carboxamide is O=C(NCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2)c1c[nH]c2ccccc12.
What is the InChIKey of N-[6-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl]-1H-indole-3-carboxamide?
The InChIKey is BNYZFCXUCLRASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31ClN4O/c29-19-13-14-22-26(17-19)33-25-12-6-4-10-21(25)27(22)30-15-7-1-2-8-16-31-28(34)23-18-32-24-11-5-3-9-20(23)24/h3,5,9,11,13-14,17-18,32H,1-2,4,6-8,10,12,15-16H2,(H,30,33)(H,31,34).
What are the key properties of N-[6-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl]-1H-indole-3-carboxamide?
N-[6-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl]-1H-indole-3-carboxamide has a molecular weight of 475.04 g/mol, XLogP of 6.65, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 11465667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).