2-[9-(acridin-9-ylamino)nonyl]isoindole-1,3-dione

C30H31N3O2 — CID 10322257

IUPAC2-[9-(acridin-9-ylamino)nonyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCCCCCCCNc1c2ccccc2nc2ccccc12
InChIInChI=1S/C30H31N3O2/c34-29-22-14-6-7-15-23(22)30(35)33(29)21-13-5-3-1-2-4-12-20-31-28-24-16-8-10-18-26(24)32-27-19-11-9-17-25(27)28/h6-11,14-19H,1-5,12-13,20-21H2,(H,31,32)
InChIKeyGCWZDWSWXHKWHX-UHFFFAOYSA-N
MW465.60 g/mol
LogP6.83
Rot. Bonds11

About 2-[9-(acridin-9-ylamino)nonyl]isoindole-1,3-dione

2-[9-(acridin-9-ylamino)nonyl]isoindole-1,3-dione (PubChem CID 10322257) has the molecular formula C30H31N3O2 and a molecular weight of 465.60 g/mol. Its IUPAC name is 2-[9-(acridin-9-ylamino)nonyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[9-(acridin-9-ylamino)nonyl]isoindole-1,3-dione
PubChem CID10322257
Molecular FormulaC30H31N3O2
Molecular Weight465.60 g/mol
Exact Mass465.24
IUPAC Name2-[9-(acridin-9-ylamino)nonyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCCCCCCCNc1c2ccccc2nc2ccccc12
InChIInChI=1S/C30H31N3O2/c34-29-22-14-6-7-15-23(22)30(35)33(29)21-13-5-3-1-2-4-12-20-31-28-24-16-8-10-18-26(24)32-27-19-11-9-17-25(27)28/h6-11,14-19H,1-5,12-13,20-21H2,(H,31,32)
InChIKeyGCWZDWSWXHKWHX-UHFFFAOYSA-N
XLogP6.83
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.60
LogP ≤ 56.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]isoindole-1,3-dione
CID 10344005
N,N'-di(acridin-9-yl)hexadecane-1,16-diamine;dihydrochloride
CID 131881606
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
N-[4-(4-ethylpiperazin-1-yl)butyl]acridin-9-amine
CID 44531415
2-[3-[10-[3-(1,3-dioxoisoindol-2-yl)propylamino]decylamino]propyl]isoindole-1,3-dione
CID 46192998
N-[3-[4-[3-(acridin-9-ylamino)propyl]piperazin-1-yl]propyl]acridin-9-amine;dihydrochloride
CID 21144905
N-[4-(4-propylpiperazin-1-yl)butyl]acridin-9-amine;hydrochloride
CID 44531426
N,N'-bis(2-methylacridin-9-yl)hexane-1,6-diamine
CID 162643745
N-[4-(4-propan-2-ylpiperazin-1-yl)butyl]acridin-9-amine
CID 44531421
N'-acridin-9-yl-N-(5-acridin-9-ylpentyl)propane-1,3-diamine
CID 58572013
tert-butyl N-[4-(acridin-9-ylamino)butyl]carbamate
CID 11291507
2-[4-(aminomethylamino)butyl]isoindole-1,3-dione
CID 70994742

Frequently Asked Questions

What is the IUPAC name of 2-[9-(acridin-9-ylamino)nonyl]isoindole-1,3-dione?
The IUPAC name of 2-[9-(acridin-9-ylamino)nonyl]isoindole-1,3-dione (CID 10322257) is 2-[9-(acridin-9-ylamino)nonyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[9-(acridin-9-ylamino)nonyl]isoindole-1,3-dione?
The canonical SMILES for 2-[9-(acridin-9-ylamino)nonyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCCCCCCCCNc1c2ccccc2nc2ccccc12.
What is the InChIKey of 2-[9-(acridin-9-ylamino)nonyl]isoindole-1,3-dione?
The InChIKey is GCWZDWSWXHKWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3O2/c34-29-22-14-6-7-15-23(22)30(35)33(29)21-13-5-3-1-2-4-12-20-31-28-24-16-8-10-18-26(24)32-27-19-11-9-17-25(27)28/h6-11,14-19H,1-5,12-13,20-21H2,(H,31,32).
What are the key properties of 2-[9-(acridin-9-ylamino)nonyl]isoindole-1,3-dione?
2-[9-(acridin-9-ylamino)nonyl]isoindole-1,3-dione has a molecular weight of 465.60 g/mol, XLogP of 6.83, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(acridin-9-ylamino)nonyl]isoindole-1,3-dione is sourced from PubChem (CID 10322257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).