2-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]isoindole-1,3-dione

C29H33N3O2 — CID 10344005

IUPAC2-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCCCCCCNc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C29H33N3O2/c33-28-21-13-5-6-14-22(21)29(34)32(28)20-12-4-2-1-3-11-19-30-27-23-15-7-9-17-25(23)31-26-18-10-8-16-24(26)27/h5-7,9,13-15,17H,1-4,8,10-12,16,18-20H2,(H,30,31)
InChIKeyBSXISTSZDDNZCX-UHFFFAOYSA-N
MW455.60 g/mol
LogP6.16
Rot. Bonds10

About 2-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]isoindole-1,3-dione

2-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]isoindole-1,3-dione (PubChem CID 10344005) has the molecular formula C29H33N3O2 and a molecular weight of 455.60 g/mol. Its IUPAC name is 2-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]isoindole-1,3-dione
PubChem CID10344005
Molecular FormulaC29H33N3O2
Molecular Weight455.60 g/mol
Exact Mass455.26
IUPAC Name2-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCCCCCCNc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C29H33N3O2/c33-28-21-13-5-6-14-22(21)29(34)32(28)20-12-4-2-1-3-11-19-30-27-23-15-7-9-17-25(23)31-26-18-10-8-16-24(26)27/h5-7,9,13-15,17H,1-4,8,10-12,16,18-20H2,(H,30,31)
InChIKeyBSXISTSZDDNZCX-UHFFFAOYSA-N
XLogP6.16
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.60
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]isoindole-1,3-dione with MolForge

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Related Compounds

2-[9-(acridin-9-ylamino)nonyl]isoindole-1,3-dione
CID 10322257
N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)decane-1,10-diamine;dihydrochloride
CID 23644646
N,N'-bis(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)hexane-1,6-diamine
CID 15490813
N-phenyl-N'-(1,2,3,4-tetrahydroacridin-9-yl)dodecane-1,12-diamine
CID 46889316
2-[7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptyl]-1,2-benzoselenazol-3-one
CID 72724700
4-(1,2,3,4-tetrahydroacridin-9-ylamino)butylcarbamic acid
CID 118035689
N-(9-morpholin-4-ylnonyl)-1,2,3,4-tetrahydroacridin-9-amine
CID 54768920
N-octyl-1,2,3,4-tetrahydroacridin-9-amine
CID 10018304
N-(4-pyrrolidin-1-ylbutyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 110432415
N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine;hydrochloride
CID 45265092
N-(7-phenylheptyl)-1,2,3,4-tetrahydroacridin-9-amine
CID 10761844
N-hydroxy-7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptanamide
CID 86293041

Frequently Asked Questions

What is the IUPAC name of 2-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]isoindole-1,3-dione?
The IUPAC name of 2-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]isoindole-1,3-dione (CID 10344005) is 2-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]isoindole-1,3-dione?
The canonical SMILES for 2-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCCCCCCCNc1c2c(nc3ccccc13)CCCC2.
What is the InChIKey of 2-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]isoindole-1,3-dione?
The InChIKey is BSXISTSZDDNZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O2/c33-28-21-13-5-6-14-22(21)29(34)32(28)20-12-4-2-1-3-11-19-30-27-23-15-7-9-17-25(23)31-26-18-10-8-16-24(26)27/h5-7,9,13-15,17H,1-4,8,10-12,16,18-20H2,(H,30,31).
What are the key properties of 2-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]isoindole-1,3-dione?
2-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]isoindole-1,3-dione has a molecular weight of 455.60 g/mol, XLogP of 6.16, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]isoindole-1,3-dione is sourced from PubChem (CID 10344005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).