4-amino-2-(2,6-dioxopiperidin-3-yl)-6,7,8,9-tetrahydropyrrolo[3,4-f]isoquinoline-1,3-dione

C16H16N4O4 — CID 171588129

IUPAC4-amino-2-(2,6-dioxopiperidin-3-yl)-6,7,8,9-tetrahydropyrrolo[3,4-f]isoquinoline-1,3-dione
SMILESNc1cc2c(c3c1C(=O)N(C1CCC(=O)NC1=O)C3=O)CCNC2
InChIInChI=1S/C16H16N4O4/c17-9-5-7-6-18-4-3-8(7)12-13(9)16(24)20(15(12)23)10-1-2-11(21)19-14(10)22/h5,10,18H,1-4,6,17H2,(H,19,21,22)
InChIKeyALFQJNPPSZFSLT-UHFFFAOYSA-N
MW328.33 g/mol
LogP-0.68
Rot. Bonds1

About 4-amino-2-(2,6-dioxopiperidin-3-yl)-6,7,8,9-tetrahydropyrrolo[3,4-f]isoquinoline-1,3-dione

4-amino-2-(2,6-dioxopiperidin-3-yl)-6,7,8,9-tetrahydropyrrolo[3,4-f]isoquinoline-1,3-dione (PubChem CID 171588129) has the molecular formula C16H16N4O4 and a molecular weight of 328.33 g/mol. Its IUPAC name is 4-amino-2-(2,6-dioxopiperidin-3-yl)-6,7,8,9-tetrahydropyrrolo[3,4-f]isoquinoline-1,3-dione.

Molecular Properties

Compound Name4-amino-2-(2,6-dioxopiperidin-3-yl)-6,7,8,9-tetrahydropyrrolo[3,4-f]isoquinoline-1,3-dione
PubChem CID171588129
Molecular FormulaC16H16N4O4
Molecular Weight328.33 g/mol
Exact Mass328.12
IUPAC Name4-amino-2-(2,6-dioxopiperidin-3-yl)-6,7,8,9-tetrahydropyrrolo[3,4-f]isoquinoline-1,3-dione
SMILESNc1cc2c(c3c1C(=O)N(C1CCC(=O)NC1=O)C3=O)CCNC2
InChIInChI=1S/C16H16N4O4/c17-9-5-7-6-18-4-3-8(7)12-13(9)16(24)20(15(12)23)10-1-2-11(21)19-14(10)22/h5,10,18H,1-4,6,17H2,(H,19,21,22)
InChIKeyALFQJNPPSZFSLT-UHFFFAOYSA-N
XLogP-0.68
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-(2,6-dioxopiperidin-3-yl)-7,8-dihydro-6H-pyrrolo[3,4-e]isoindole-1,3-dione
CID 164920099
4-amino-2-(2,6-dioxopiperidin-3-yl)-6-methylisoindole-1,3-dione;propane
CID 166155279
3-(4-fluoro-3-oxo-6,7,8,9-tetrahydro-1H-pyrrolo[3,4-f]isoquinolin-2-yl)piperidine-2,6-dione
CID 164920128
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 71499176
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;dihydrate
CID 135349767
8-amino-2-(2,6-dioxopiperidin-3-yl)-4H-isoquinoline-1,3-dione
CID 172771986
8-[(3R)-2,6-dioxopiperidin-3-yl]-2,3,4,5-tetrahydropyrrolo[3,4-h][1,4]benzoxazepine-7,9-dione
CID 164920224
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methanamine
CID 160955629
3-(10-fluoro-1-oxo-3,5,6,7,8,9-hexahydropyrrolo[3,4-h][2]benzazepin-2-yl)piperidine-2,6-dione
CID 164920052
8-amino-2-[(3S)-2,6-dioxopiperidin-3-yl]-6-methoxy-6,7-dihydro-5H-cyclopenta[f]isoindole-1,3-dione
CID 171588231
4-amino-2-[(3S)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione;4-amino-2-[(3R)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione;4,7-diamino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4,7-dichloro-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 159696058
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 158795821

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2,6-dioxopiperidin-3-yl)-6,7,8,9-tetrahydropyrrolo[3,4-f]isoquinoline-1,3-dione?
The IUPAC name of 4-amino-2-(2,6-dioxopiperidin-3-yl)-6,7,8,9-tetrahydropyrrolo[3,4-f]isoquinoline-1,3-dione (CID 171588129) is 4-amino-2-(2,6-dioxopiperidin-3-yl)-6,7,8,9-tetrahydropyrrolo[3,4-f]isoquinoline-1,3-dione.
What is the SMILES notation for 4-amino-2-(2,6-dioxopiperidin-3-yl)-6,7,8,9-tetrahydropyrrolo[3,4-f]isoquinoline-1,3-dione?
The canonical SMILES for 4-amino-2-(2,6-dioxopiperidin-3-yl)-6,7,8,9-tetrahydropyrrolo[3,4-f]isoquinoline-1,3-dione is Nc1cc2c(c3c1C(=O)N(C1CCC(=O)NC1=O)C3=O)CCNC2.
What is the InChIKey of 4-amino-2-(2,6-dioxopiperidin-3-yl)-6,7,8,9-tetrahydropyrrolo[3,4-f]isoquinoline-1,3-dione?
The InChIKey is ALFQJNPPSZFSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O4/c17-9-5-7-6-18-4-3-8(7)12-13(9)16(24)20(15(12)23)10-1-2-11(21)19-14(10)22/h5,10,18H,1-4,6,17H2,(H,19,21,22).
What are the key properties of 4-amino-2-(2,6-dioxopiperidin-3-yl)-6,7,8,9-tetrahydropyrrolo[3,4-f]isoquinoline-1,3-dione?
4-amino-2-(2,6-dioxopiperidin-3-yl)-6,7,8,9-tetrahydropyrrolo[3,4-f]isoquinoline-1,3-dione has a molecular weight of 328.33 g/mol, XLogP of -0.68, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2,6-dioxopiperidin-3-yl)-6,7,8,9-tetrahydropyrrolo[3,4-f]isoquinoline-1,3-dione is sourced from PubChem (CID 171588129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).