2-[3-(5-methoxy-1H-indol-3-yl)propyl]isoindole-1,3-dione

C20H18N2O3 — CID 906584

IUPAC2-[3-(5-methoxy-1H-indol-3-yl)propyl]isoindole-1,3-dione
SMILESCOc1ccc2[nH]cc(CCCN3C(=O)c4ccccc4C3=O)c2c1
InChIInChI=1S/C20H18N2O3/c1-25-14-8-9-18-17(11-14)13(12-21-18)5-4-10-22-19(23)15-6-2-3-7-16(15)20(22)24/h2-3,6-9,11-12,21H,4-5,10H2,1H3
InChIKeyXGKIRMXYDHVDBX-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.41
Rot. Bonds5

About 2-[3-(5-methoxy-1H-indol-3-yl)propyl]isoindole-1,3-dione

2-[3-(5-methoxy-1H-indol-3-yl)propyl]isoindole-1,3-dione (PubChem CID 906584) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-[3-(5-methoxy-1H-indol-3-yl)propyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-(5-methoxy-1H-indol-3-yl)propyl]isoindole-1,3-dione
PubChem CID906584
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name2-[3-(5-methoxy-1H-indol-3-yl)propyl]isoindole-1,3-dione
SMILESCOc1ccc2[nH]cc(CCCN3C(=O)c4ccccc4C3=O)c2c1
InChIInChI=1S/C20H18N2O3/c1-25-14-8-9-18-17(11-14)13(12-21-18)5-4-10-22-19(23)15-6-2-3-7-16(15)20(22)24/h2-3,6-9,11-12,21H,4-5,10H2,1H3
InChIKeyXGKIRMXYDHVDBX-UHFFFAOYSA-N
XLogP3.41
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(1H-indol-3-yl)propyl]isoindole-1,3-dione
CID 906585
2-[4-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]butyl]isoindole-1,3-dione;hydrochloride
CID 19029941
3-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide
CID 71754627
2-[4-[2-(5-methoxy-1H-indol-3-yl)ethylamino]butyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 14673415
1-[4-[4-[3-(5-methoxy-1H-indol-3-yl)propyl]piperazin-1-yl]phenyl]pyridin-2-one
CID 118190841
1-[2-(5-methoxy-1H-indol-3-yl)ethyl]piperidine-2,6-dione
CID 23283702
3-[3-[4-[3-(5-bromo-1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-5-methoxy-1H-indole
CID 72735021
[3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1H-indol-5-yl] furan-2-carboxylate
CID 645631
3-[3-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-5-methoxy-1H-indole
CID 72734844
2-[4-[[3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]oxy]butyl]isoindole-1,3-dione
CID 22875366
1-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrrole-2,5-diol
CID 123758816
3-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one
CID 171934294

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-methoxy-1H-indol-3-yl)propyl]isoindole-1,3-dione?
The IUPAC name of 2-[3-(5-methoxy-1H-indol-3-yl)propyl]isoindole-1,3-dione (CID 906584) is 2-[3-(5-methoxy-1H-indol-3-yl)propyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-(5-methoxy-1H-indol-3-yl)propyl]isoindole-1,3-dione?
The canonical SMILES for 2-[3-(5-methoxy-1H-indol-3-yl)propyl]isoindole-1,3-dione is COc1ccc2[nH]cc(CCCN3C(=O)c4ccccc4C3=O)c2c1.
What is the InChIKey of 2-[3-(5-methoxy-1H-indol-3-yl)propyl]isoindole-1,3-dione?
The InChIKey is XGKIRMXYDHVDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-25-14-8-9-18-17(11-14)13(12-21-18)5-4-10-22-19(23)15-6-2-3-7-16(15)20(22)24/h2-3,6-9,11-12,21H,4-5,10H2,1H3.
What are the key properties of 2-[3-(5-methoxy-1H-indol-3-yl)propyl]isoindole-1,3-dione?
2-[3-(5-methoxy-1H-indol-3-yl)propyl]isoindole-1,3-dione has a molecular weight of 334.38 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-methoxy-1H-indol-3-yl)propyl]isoindole-1,3-dione is sourced from PubChem (CID 906584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).