6-chloro-N-[6-(3-prop-2-enylindol-1-yl)hexyl]-1,2,3,4-tetrahydroacridin-9-amine

C30H34ClN3 — CID 141107177

IUPAC6-chloro-N-[6-(3-prop-2-enylindol-1-yl)hexyl]-1,2,3,4-tetrahydroacridin-9-amine
SMILESC=CCc1cn(CCCCCCNc2c3c(nc4cc(Cl)ccc24)CCCC3)c2ccccc12
InChIInChI=1S/C30H34ClN3/c1-2-11-22-21-34(29-15-8-6-12-24(22)29)19-10-4-3-9-18-32-30-25-13-5-7-14-27(25)33-28-20-23(31)16-17-26(28)30/h2,6,8,12,15-17,20-21H,1,3-5,7,9-11,13-14,18-19H2,(H,32,33)
InChIKeyUHSKRDGTSKPYIH-UHFFFAOYSA-N
MW472.08 g/mol
LogP8.12
Rot. Bonds10

About 6-chloro-N-[6-(3-prop-2-enylindol-1-yl)hexyl]-1,2,3,4-tetrahydroacridin-9-amine

6-chloro-N-[6-(3-prop-2-enylindol-1-yl)hexyl]-1,2,3,4-tetrahydroacridin-9-amine (PubChem CID 141107177) has the molecular formula C30H34ClN3 and a molecular weight of 472.08 g/mol. Its IUPAC name is 6-chloro-N-[6-(3-prop-2-enylindol-1-yl)hexyl]-1,2,3,4-tetrahydroacridin-9-amine.

Molecular Properties

Compound Name6-chloro-N-[6-(3-prop-2-enylindol-1-yl)hexyl]-1,2,3,4-tetrahydroacridin-9-amine
PubChem CID141107177
Molecular FormulaC30H34ClN3
Molecular Weight472.08 g/mol
Exact Mass471.24
IUPAC Name6-chloro-N-[6-(3-prop-2-enylindol-1-yl)hexyl]-1,2,3,4-tetrahydroacridin-9-amine
SMILESC=CCc1cn(CCCCCCNc2c3c(nc4cc(Cl)ccc24)CCCC3)c2ccccc12
InChIInChI=1S/C30H34ClN3/c1-2-11-22-21-34(29-15-8-6-12-24(22)29)19-10-4-3-9-18-32-30-25-13-5-7-14-27(25)33-28-20-23(31)16-17-26(28)30/h2,6,8,12,15-17,20-21H,1,3-5,7,9-11,13-14,18-19H2,(H,32,33)
InChIKeyUHSKRDGTSKPYIH-UHFFFAOYSA-N
XLogP8.12
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.08
LogP ≤ 58.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[6-(3-prop-2-enylindol-1-yl)hexyl]-1,2,3,4-tetrahydroacridin-9-amine?
The IUPAC name of 6-chloro-N-[6-(3-prop-2-enylindol-1-yl)hexyl]-1,2,3,4-tetrahydroacridin-9-amine (CID 141107177) is 6-chloro-N-[6-(3-prop-2-enylindol-1-yl)hexyl]-1,2,3,4-tetrahydroacridin-9-amine.
What is the SMILES notation for 6-chloro-N-[6-(3-prop-2-enylindol-1-yl)hexyl]-1,2,3,4-tetrahydroacridin-9-amine?
The canonical SMILES for 6-chloro-N-[6-(3-prop-2-enylindol-1-yl)hexyl]-1,2,3,4-tetrahydroacridin-9-amine is C=CCc1cn(CCCCCCNc2c3c(nc4cc(Cl)ccc24)CCCC3)c2ccccc12.
What is the InChIKey of 6-chloro-N-[6-(3-prop-2-enylindol-1-yl)hexyl]-1,2,3,4-tetrahydroacridin-9-amine?
The InChIKey is UHSKRDGTSKPYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34ClN3/c1-2-11-22-21-34(29-15-8-6-12-24(22)29)19-10-4-3-9-18-32-30-25-13-5-7-14-27(25)33-28-20-23(31)16-17-26(28)30/h2,6,8,12,15-17,20-21H,1,3-5,7,9-11,13-14,18-19H2,(H,32,33).
What are the key properties of 6-chloro-N-[6-(3-prop-2-enylindol-1-yl)hexyl]-1,2,3,4-tetrahydroacridin-9-amine?
6-chloro-N-[6-(3-prop-2-enylindol-1-yl)hexyl]-1,2,3,4-tetrahydroacridin-9-amine has a molecular weight of 472.08 g/mol, XLogP of 8.12, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[6-(3-prop-2-enylindol-1-yl)hexyl]-1,2,3,4-tetrahydroacridin-9-amine is sourced from PubChem (CID 141107177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).