3-(6-hydroxy-1-oxo-3,4-dihydroisoquinolin-2-yl)piperidine-2,6-dione

C14H14N2O4 — CID 146173302

IUPAC3-(6-hydroxy-1-oxo-3,4-dihydroisoquinolin-2-yl)piperidine-2,6-dione
SMILESO=C1CCC(N2CCc3cc(O)ccc3C2=O)C(=O)N1
InChIInChI=1S/C14H14N2O4/c17-9-1-2-10-8(7-9)5-6-16(14(10)20)11-3-4-12(18)15-13(11)19/h1-2,7,11,17H,3-6H2,(H,15,18,19)
InChIKeyPLRRWLYLOSLODH-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.20
Rot. Bonds1

About 3-(6-hydroxy-1-oxo-3,4-dihydroisoquinolin-2-yl)piperidine-2,6-dione

3-(6-hydroxy-1-oxo-3,4-dihydroisoquinolin-2-yl)piperidine-2,6-dione (PubChem CID 146173302) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 3-(6-hydroxy-1-oxo-3,4-dihydroisoquinolin-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(6-hydroxy-1-oxo-3,4-dihydroisoquinolin-2-yl)piperidine-2,6-dione
PubChem CID146173302
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name3-(6-hydroxy-1-oxo-3,4-dihydroisoquinolin-2-yl)piperidine-2,6-dione
SMILESO=C1CCC(N2CCc3cc(O)ccc3C2=O)C(=O)N1
InChIInChI=1S/C14H14N2O4/c17-9-1-2-10-8(7-9)5-6-16(14(10)20)11-3-4-12(18)15-13(11)19/h1-2,7,11,17H,3-6H2,(H,15,18,19)
InChIKeyPLRRWLYLOSLODH-UHFFFAOYSA-N
XLogP0.20
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(6-hydroxy-1-oxo-3,4-dihydroisoquinolin-2-yl)piperidine-2,6-dione with MolForge

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Related Compounds

3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 71517902
N-ethylcyclopentanamine;3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;thiohypoiodous acid
CID 153392033
3-(3-oxo-6-pyrrolidin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 166947626
3-[6-(4-hydroxypiperidin-1-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 162742094
3-[6-[(6-hydroxynaphthalen-2-yl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166819473
3-[6-(4-chlorobenzoyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 177251278
3-[6-[4-[bis(4-hydroxyphenyl)methyl]piperazine-1-carbonyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171829177
4-(6-hydroxy-1-oxo-3,4-dihydroisoquinolin-2-yl)cyclohexane-1-carboxylic acid
CID 71089934
3-(6-(114C)methylidyneazaniumyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 156628917
3-(6-isocyano-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 140797643
methylazanium;3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 155746155
3-[6-(4-aminopiperidin-1-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 134579838

Frequently Asked Questions

What is the IUPAC name of 3-(6-hydroxy-1-oxo-3,4-dihydroisoquinolin-2-yl)piperidine-2,6-dione?
The IUPAC name of 3-(6-hydroxy-1-oxo-3,4-dihydroisoquinolin-2-yl)piperidine-2,6-dione (CID 146173302) is 3-(6-hydroxy-1-oxo-3,4-dihydroisoquinolin-2-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(6-hydroxy-1-oxo-3,4-dihydroisoquinolin-2-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(6-hydroxy-1-oxo-3,4-dihydroisoquinolin-2-yl)piperidine-2,6-dione is O=C1CCC(N2CCc3cc(O)ccc3C2=O)C(=O)N1.
What is the InChIKey of 3-(6-hydroxy-1-oxo-3,4-dihydroisoquinolin-2-yl)piperidine-2,6-dione?
The InChIKey is PLRRWLYLOSLODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c17-9-1-2-10-8(7-9)5-6-16(14(10)20)11-3-4-12(18)15-13(11)19/h1-2,7,11,17H,3-6H2,(H,15,18,19).
What are the key properties of 3-(6-hydroxy-1-oxo-3,4-dihydroisoquinolin-2-yl)piperidine-2,6-dione?
3-(6-hydroxy-1-oxo-3,4-dihydroisoquinolin-2-yl)piperidine-2,6-dione has a molecular weight of 274.28 g/mol, XLogP of 0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-hydroxy-1-oxo-3,4-dihydroisoquinolin-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 146173302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).