3-(8-oxo-6H-pyrrolo[3,4-g]quinolin-7-yl)piperidine-2,6-dione

C16H13N3O3 — CID 164920226

IUPAC3-(8-oxo-6H-pyrrolo[3,4-g]quinolin-7-yl)piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cc4cccnc4cc3C2=O)C(=O)N1
InChIInChI=1S/C16H13N3O3/c20-14-4-3-13(15(21)18-14)19-8-10-6-9-2-1-5-17-12(9)7-11(10)16(19)22/h1-2,5-7,13H,3-4,8H2,(H,18,20,21)
InChIKeyRMOPZCYUIDDGGW-UHFFFAOYSA-N
MW295.30 g/mol
LogP1.00
Rot. Bonds1

About 3-(8-oxo-6H-pyrrolo[3,4-g]quinolin-7-yl)piperidine-2,6-dione

3-(8-oxo-6H-pyrrolo[3,4-g]quinolin-7-yl)piperidine-2,6-dione (PubChem CID 164920226) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 3-(8-oxo-6H-pyrrolo[3,4-g]quinolin-7-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(8-oxo-6H-pyrrolo[3,4-g]quinolin-7-yl)piperidine-2,6-dione
PubChem CID164920226
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name3-(8-oxo-6H-pyrrolo[3,4-g]quinolin-7-yl)piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cc4cccnc4cc3C2=O)C(=O)N1
InChIInChI=1S/C16H13N3O3/c20-14-4-3-13(15(21)18-14)19-8-10-6-9-2-1-5-17-12(9)7-11(10)16(19)22/h1-2,5-7,13H,3-4,8H2,(H,18,20,21)
InChIKeyRMOPZCYUIDDGGW-UHFFFAOYSA-N
XLogP1.00
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(8-oxo-6H-pyrrolo[3,4-g]quinolin-7-yl)piperidine-2,6-dione with MolForge

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Related Compounds

(3S)-3-[6-(1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156867503
3-[3-oxo-6-[(3S)-1-(quinolin-7-ylmethyl)pyrrolidin-3-yl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione
CID 174196984
3-(3-oxo-6-pyrido[3,4-b]pyrazin-5-yl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167929770
3-[3-oxo-6-[2-(3-quinolin-7-ylazetidin-1-yl)cyclopentyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166469791
3-[3-oxo-6-[(1S,2S)-2-(3-quinolin-7-ylazetidin-1-yl)cyclohexyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166469635
3-[6-[(3S)-1-(1,6-naphthyridin-7-ylmethyl)pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 174196717
3-[3-oxo-6-[2-(3-quinolin-7-ylazetidin-1-yl)cyclohexyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166469609
2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]isoindole-1,3-dione
CID 170628916
3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 71517902
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
ethane;3-(5-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 155599247

Frequently Asked Questions

What is the IUPAC name of 3-(8-oxo-6H-pyrrolo[3,4-g]quinolin-7-yl)piperidine-2,6-dione?
The IUPAC name of 3-(8-oxo-6H-pyrrolo[3,4-g]quinolin-7-yl)piperidine-2,6-dione (CID 164920226) is 3-(8-oxo-6H-pyrrolo[3,4-g]quinolin-7-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(8-oxo-6H-pyrrolo[3,4-g]quinolin-7-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(8-oxo-6H-pyrrolo[3,4-g]quinolin-7-yl)piperidine-2,6-dione is O=C1CCC(N2Cc3cc4cccnc4cc3C2=O)C(=O)N1.
What is the InChIKey of 3-(8-oxo-6H-pyrrolo[3,4-g]quinolin-7-yl)piperidine-2,6-dione?
The InChIKey is RMOPZCYUIDDGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c20-14-4-3-13(15(21)18-14)19-8-10-6-9-2-1-5-17-12(9)7-11(10)16(19)22/h1-2,5-7,13H,3-4,8H2,(H,18,20,21).
What are the key properties of 3-(8-oxo-6H-pyrrolo[3,4-g]quinolin-7-yl)piperidine-2,6-dione?
3-(8-oxo-6H-pyrrolo[3,4-g]quinolin-7-yl)piperidine-2,6-dione has a molecular weight of 295.30 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-oxo-6H-pyrrolo[3,4-g]quinolin-7-yl)piperidine-2,6-dione is sourced from PubChem (CID 164920226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).