2-[2-(1H-indol-3-yl)ethyl]-4H-isoquinoline-1,3-dione

C19H16N2O2 — CID 3775891

IUPAC2-[2-(1H-indol-3-yl)ethyl]-4H-isoquinoline-1,3-dione
SMILESO=C1Cc2ccccc2C(=O)N1CCc1c[nH]c2ccccc12
InChIInChI=1S/C19H16N2O2/c22-18-11-13-5-1-2-7-16(13)19(23)21(18)10-9-14-12-20-17-8-4-3-6-15(14)17/h1-8,12,20H,9-11H2
InChIKeyOZHCGSGZRLUISK-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.94
Rot. Bonds3

About 2-[2-(1H-indol-3-yl)ethyl]-4H-isoquinoline-1,3-dione

2-[2-(1H-indol-3-yl)ethyl]-4H-isoquinoline-1,3-dione (PubChem CID 3775891) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-[2-(1H-indol-3-yl)ethyl]-4H-isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-[2-(1H-indol-3-yl)ethyl]-4H-isoquinoline-1,3-dione
PubChem CID3775891
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name2-[2-(1H-indol-3-yl)ethyl]-4H-isoquinoline-1,3-dione
SMILESO=C1Cc2ccccc2C(=O)N1CCc1c[nH]c2ccccc12
InChIInChI=1S/C19H16N2O2/c22-18-11-13-5-1-2-7-16(13)19(23)21(18)10-9-14-12-20-17-8-4-3-6-15(14)17/h1-8,12,20H,9-11H2
InChIKeyOZHCGSGZRLUISK-UHFFFAOYSA-N
XLogP2.94
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[2-(1H-indol-3-yl)ethyl]-4H-isoquinoline-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(1H-indol-3-yl)propyl]isoindole-1,3-dione
CID 906585
2-[2-(1H-indol-3-yl)ethyl]-5-methylisoindole-1,3-dione
CID 1204633
(4Z)-4-(dimethylaminomethylidene)-2-[2-(1H-indol-3-yl)ethyl]isoquinoline-1,3-dione
CID 6512110
2-(1H-indol-3-ylmethyl)isoindole-1,3-dione
CID 12504745
2-[2-(1H-indol-3-yl)ethyl]-1,3-dioxoisoindole-5-carboxylic acid
CID 906603
(1,3-dioxoisoindol-2-yl)methyl 3-(1H-indol-3-yl)propanoate
CID 5207428
3-(1H-indol-3-yl)-N-(4-methylpiperazin-1-yl)propanamide
CID 78909578
2-[5-(1H-imidazol-5-yl)pentyl]-4H-isoquinoline-1,3-dione
CID 67860808
2-but-3-enyl-4H-isoquinoline-1,3-dione
CID 58158002
3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 26393
(2S)-N-[2-(1H-indol-3-yl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide
CID 40649871
2-[2-(5-cyclohexyl-1H-indol-3-yl)ethyl]isoindole-1,3-dione
CID 10499546

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-indol-3-yl)ethyl]-4H-isoquinoline-1,3-dione?
The IUPAC name of 2-[2-(1H-indol-3-yl)ethyl]-4H-isoquinoline-1,3-dione (CID 3775891) is 2-[2-(1H-indol-3-yl)ethyl]-4H-isoquinoline-1,3-dione.
What is the SMILES notation for 2-[2-(1H-indol-3-yl)ethyl]-4H-isoquinoline-1,3-dione?
The canonical SMILES for 2-[2-(1H-indol-3-yl)ethyl]-4H-isoquinoline-1,3-dione is O=C1Cc2ccccc2C(=O)N1CCc1c[nH]c2ccccc12.
What is the InChIKey of 2-[2-(1H-indol-3-yl)ethyl]-4H-isoquinoline-1,3-dione?
The InChIKey is OZHCGSGZRLUISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c22-18-11-13-5-1-2-7-16(13)19(23)21(18)10-9-14-12-20-17-8-4-3-6-15(14)17/h1-8,12,20H,9-11H2.
What are the key properties of 2-[2-(1H-indol-3-yl)ethyl]-4H-isoquinoline-1,3-dione?
2-[2-(1H-indol-3-yl)ethyl]-4H-isoquinoline-1,3-dione has a molecular weight of 304.35 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-indol-3-yl)ethyl]-4H-isoquinoline-1,3-dione is sourced from PubChem (CID 3775891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).