2-(2-hydroxy-2-isoquinolin-3-ylethyl)isoindole-1,3-dione

C19H14N2O3 — CID 118917491

IUPAC2-(2-hydroxy-2-isoquinolin-3-ylethyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CC(O)c1cc2ccccc2cn1
InChIInChI=1S/C19H14N2O3/c22-17(16-9-12-5-1-2-6-13(12)10-20-16)11-21-18(23)14-7-3-4-8-15(14)19(21)24/h1-10,17,22H,11H2
InChIKeyGALMTVZRUVBKOS-UHFFFAOYSA-N
MW318.33 g/mol
LogP2.56
Rot. Bonds3

About 2-(2-hydroxy-2-isoquinolin-3-ylethyl)isoindole-1,3-dione

2-(2-hydroxy-2-isoquinolin-3-ylethyl)isoindole-1,3-dione (PubChem CID 118917491) has the molecular formula C19H14N2O3 and a molecular weight of 318.33 g/mol. Its IUPAC name is 2-(2-hydroxy-2-isoquinolin-3-ylethyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2-hydroxy-2-isoquinolin-3-ylethyl)isoindole-1,3-dione
PubChem CID118917491
Molecular FormulaC19H14N2O3
Molecular Weight318.33 g/mol
Exact Mass318.10
IUPAC Name2-(2-hydroxy-2-isoquinolin-3-ylethyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CC(O)c1cc2ccccc2cn1
InChIInChI=1S/C19H14N2O3/c22-17(16-9-12-5-1-2-6-13(12)10-20-16)11-21-18(23)14-7-3-4-8-15(14)19(21)24/h1-10,17,22H,11H2
InChIKeyGALMTVZRUVBKOS-UHFFFAOYSA-N
XLogP2.56
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-hydroxy-2-isoquinolin-3-ylethyl)isoindole-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-[(2S)-2-hydroxypropyl]naphtho[2,3-f]isoindole-1,3-dione
CID 102159608
2-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]isoindole-1,3-dione
CID 14536961
2-[6-(1,3-dioxoisoindol-2-yl)-2,5-dihydroxyhexyl]isoindole-1,3-dione
CID 5232489
2-[(2S)-3-[4-[(2R)-3-(1,3-dioxoisoindol-2-yl)-2-hydroxypropoxy]phenoxy]-2-hydroxypropyl]isoindole-1,3-dione
CID 1102637
2-[2-(4-aminophenyl)-2-hydroxyethyl]isoindole-1,3-dione
CID 43461566
2-[2-(2-fluorophenyl)-2-hydroxyethyl]isoindole-1,3-dione
CID 42946404
2-[2-(2,5-dimethylphenyl)-2-hydroxyethyl]isoindole-1,3-dione
CID 71494022
2-[2-(2,5-dichlorophenyl)-2-hydroxyethyl]isoindole-1,3-dione
CID 91136158
2-[2-(2,4-difluorophenyl)-2-hydroxyethyl]isoindole-1,3-dione
CID 110885169
(2S)-3-(1,3-dioxoisoindol-2-yl)-2-hydroxypropanoic acid
CID 67719573
2-[2-hydroxy-3-(4-methoxyphenoxy)propyl]isoindole-1,3-dione
CID 2880296
2-(3-anilino-2-hydroxypropyl)isoindole-1,3-dione
CID 45158358

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-2-isoquinolin-3-ylethyl)isoindole-1,3-dione?
The IUPAC name of 2-(2-hydroxy-2-isoquinolin-3-ylethyl)isoindole-1,3-dione (CID 118917491) is 2-(2-hydroxy-2-isoquinolin-3-ylethyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(2-hydroxy-2-isoquinolin-3-ylethyl)isoindole-1,3-dione?
The canonical SMILES for 2-(2-hydroxy-2-isoquinolin-3-ylethyl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CC(O)c1cc2ccccc2cn1.
What is the InChIKey of 2-(2-hydroxy-2-isoquinolin-3-ylethyl)isoindole-1,3-dione?
The InChIKey is GALMTVZRUVBKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O3/c22-17(16-9-12-5-1-2-6-13(12)10-20-16)11-21-18(23)14-7-3-4-8-15(14)19(21)24/h1-10,17,22H,11H2.
What are the key properties of 2-(2-hydroxy-2-isoquinolin-3-ylethyl)isoindole-1,3-dione?
2-(2-hydroxy-2-isoquinolin-3-ylethyl)isoindole-1,3-dione has a molecular weight of 318.33 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-2-isoquinolin-3-ylethyl)isoindole-1,3-dione is sourced from PubChem (CID 118917491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).