2-[6-(1H-acridin-10-yl)hexyl]isoindole-1,3-dione

C27H26N2O2 — CID 66643398

IUPAC2-[6-(1H-acridin-10-yl)hexyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCCCCN1C2=CC=CCC2=Cc2ccccc21
InChIInChI=1S/C27H26N2O2/c30-26-22-13-5-6-14-23(22)27(31)29(26)18-10-2-1-9-17-28-24-15-7-3-11-20(24)19-21-12-4-8-16-25(21)28/h3-8,11,13-16,19H,1-2,9-10,12,17-18H2
InChIKeyAXWFKVOBPSXHQL-UHFFFAOYSA-N
MW410.52 g/mol
LogP5.59
Rot. Bonds7

About 2-[6-(1H-acridin-10-yl)hexyl]isoindole-1,3-dione

2-[6-(1H-acridin-10-yl)hexyl]isoindole-1,3-dione (PubChem CID 66643398) has the molecular formula C27H26N2O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 2-[6-(1H-acridin-10-yl)hexyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[6-(1H-acridin-10-yl)hexyl]isoindole-1,3-dione
PubChem CID66643398
Molecular FormulaC27H26N2O2
Molecular Weight410.52 g/mol
Exact Mass410.20
IUPAC Name2-[6-(1H-acridin-10-yl)hexyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCCCCN1C2=CC=CCC2=Cc2ccccc21
InChIInChI=1S/C27H26N2O2/c30-26-22-13-5-6-14-23(22)27(31)29(26)18-10-2-1-9-17-28-24-15-7-3-11-20(24)19-21-12-4-8-16-25(21)28/h3-8,11,13-16,19H,1-2,9-10,12,17-18H2
InChIKeyAXWFKVOBPSXHQL-UHFFFAOYSA-N
XLogP5.59
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.52
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[6-(1H-acridin-10-yl)hexyl]isoindole-1,3-dione with MolForge

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Related Compounds

10-octadecyl-1H-acridine
CID 66736820
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
2-(6-methoxyhexyl)isoindole-1,3-dione
CID 14947433
2-[6-[6-(1,3-dioxoisoindol-2-yl)hexyldisulfanyl]hexyl]isoindole-1,3-dione
CID 15499684
2-[4-(1,3-dihydroisoindol-2-yl)butyl]isoindole-1,3-dione
CID 127052466
2-(7-bromoheptyl)isoindole-1,3-dione;2-(8-bromooctyl)isoindole-1,3-dione
CID 19698937
CID 88976080
CID 88976080
2-[7-(dimethylamino)heptyl]isoindole-1,3-dione
CID 139959528
2-(5-pentoxypentyl)isoindole-1,3-dione
CID 139959537
2-[4-(4-methoxypiperidin-1-yl)-4-oxobutyl]isoindole-1,3-dione
CID 110725297
2-[4-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]butyl]isoindole-1,3-dione
CID 51531398
2-[4-[4-(2-hydroxyphenyl)piperazin-1-yl]-4-oxobutyl]isoindole-1,3-dione
CID 9079094

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1H-acridin-10-yl)hexyl]isoindole-1,3-dione?
The IUPAC name of 2-[6-(1H-acridin-10-yl)hexyl]isoindole-1,3-dione (CID 66643398) is 2-[6-(1H-acridin-10-yl)hexyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[6-(1H-acridin-10-yl)hexyl]isoindole-1,3-dione?
The canonical SMILES for 2-[6-(1H-acridin-10-yl)hexyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCCCCCN1C2=CC=CCC2=Cc2ccccc21.
What is the InChIKey of 2-[6-(1H-acridin-10-yl)hexyl]isoindole-1,3-dione?
The InChIKey is AXWFKVOBPSXHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O2/c30-26-22-13-5-6-14-23(22)27(31)29(26)18-10-2-1-9-17-28-24-15-7-3-11-20(24)19-21-12-4-8-16-25(21)28/h3-8,11,13-16,19H,1-2,9-10,12,17-18H2.
What are the key properties of 2-[6-(1H-acridin-10-yl)hexyl]isoindole-1,3-dione?
2-[6-(1H-acridin-10-yl)hexyl]isoindole-1,3-dione has a molecular weight of 410.52 g/mol, XLogP of 5.59, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1H-acridin-10-yl)hexyl]isoindole-1,3-dione is sourced from PubChem (CID 66643398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).