2-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]isoindole-1,3-dione

C20H18N2O3 — CID 757446

IUPAC2-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]isoindole-1,3-dione
SMILESC[C@H](C(=O)N1CCc2ccccc2C1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H18N2O3/c1-13(22-19(24)16-8-4-5-9-17(16)20(22)25)18(23)21-11-10-14-6-2-3-7-15(14)12-21/h2-9,13H,10-12H2,1H3/t13-/m1/s1
InChIKeyOWULRRZVAXTQNS-CYBMUJFWSA-N
MW334.38 g/mol
LogP2.26
Rot. Bonds2

About 2-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]isoindole-1,3-dione

2-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]isoindole-1,3-dione (PubChem CID 757446) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]isoindole-1,3-dione
PubChem CID757446
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name2-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]isoindole-1,3-dione
SMILESC[C@H](C(=O)N1CCc2ccccc2C1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H18N2O3/c1-13(22-19(24)16-8-4-5-9-17(16)20(22)25)18(23)21-11-10-14-6-2-3-7-15(14)12-21/h2-9,13H,10-12H2,1H3/t13-/m1/s1
InChIKeyOWULRRZVAXTQNS-CYBMUJFWSA-N
XLogP2.26
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]isoindole-1,3-dione with MolForge

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Launch Full Analysis

Related Compounds

[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 8926448
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 8926753
2-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]isoindole-1,3-dione
CID 23738645
2-[(2R)-1-[13-[(2R)-2-(1,3-dioxoisoindol-2-yl)propanoyl]-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-1-oxopropan-2-yl]isoindole-1,3-dione
CID 7073934
N-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]-N-phenylmethanesulfonamide
CID 1163329
(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 8596893
2-[1-[3-(4-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]-1-oxopropan-2-yl]isoindole-1,3-dione
CID 108751197
[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 8926596
2-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methylphenyl)ethanone;hydrochloride
CID 120666503
2-[(2S)-1-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-oxopropan-2-yl]isoindole-1,3-dione
CID 6967858
2-(3-oxobutan-2-yl)isoindole-1,3-dione
CID 12910747
2-[(2R)-1-[(1R)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-1-oxopropan-2-yl]isoindole-1,3-dione
CID 7679706

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]isoindole-1,3-dione?
The IUPAC name of 2-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]isoindole-1,3-dione (CID 757446) is 2-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]isoindole-1,3-dione is C[C@H](C(=O)N1CCc2ccccc2C1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]isoindole-1,3-dione?
The InChIKey is OWULRRZVAXTQNS-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-13(22-19(24)16-8-4-5-9-17(16)20(22)25)18(23)21-11-10-14-6-2-3-7-15(14)12-21/h2-9,13H,10-12H2,1H3/t13-/m1/s1.
What are the key properties of 2-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]isoindole-1,3-dione?
2-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]isoindole-1,3-dione has a molecular weight of 334.38 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]isoindole-1,3-dione is sourced from PubChem (CID 757446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).