3-(3-oxo-6,7,8,9-tetrahydro-1H-pyrrolo[3,4-f]quinolin-2-yl)piperidine-2,6-dione

C16H17N3O3 — CID 166660984

IUPAC3-(3-oxo-6,7,8,9-tetrahydro-1H-pyrrolo[3,4-f]quinolin-2-yl)piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3c(ccc4c3CCCN4)C2=O)C(=O)N1
InChIInChI=1S/C16H17N3O3/c20-14-6-5-13(15(21)18-14)19-8-11-9-2-1-7-17-12(9)4-3-10(11)16(19)22/h3-4,13,17H,1-2,5-8H2,(H,18,20,21)
InChIKeyXJCAGILRPKGAOV-UHFFFAOYSA-N
MW299.33 g/mol
LogP0.81
Rot. Bonds1

About 3-(3-oxo-6,7,8,9-tetrahydro-1H-pyrrolo[3,4-f]quinolin-2-yl)piperidine-2,6-dione

3-(3-oxo-6,7,8,9-tetrahydro-1H-pyrrolo[3,4-f]quinolin-2-yl)piperidine-2,6-dione (PubChem CID 166660984) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 3-(3-oxo-6,7,8,9-tetrahydro-1H-pyrrolo[3,4-f]quinolin-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(3-oxo-6,7,8,9-tetrahydro-1H-pyrrolo[3,4-f]quinolin-2-yl)piperidine-2,6-dione
PubChem CID166660984
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name3-(3-oxo-6,7,8,9-tetrahydro-1H-pyrrolo[3,4-f]quinolin-2-yl)piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3c(ccc4c3CCCN4)C2=O)C(=O)N1
InChIInChI=1S/C16H17N3O3/c20-14-6-5-13(15(21)18-14)19-8-11-9-2-1-7-17-12(9)4-3-10(11)16(19)22/h3-4,13,17H,1-2,5-8H2,(H,18,20,21)
InChIKeyXJCAGILRPKGAOV-UHFFFAOYSA-N
XLogP0.81
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(3-oxo-6,7,8,9-tetrahydro-1H-pyrrolo[3,4-f]quinolin-2-yl)piperidine-2,6-dione with MolForge

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Related Compounds

(3S)-3-[(2S)-2-(hydroxymethyl)-7-oxo-2,3,4,9-tetrahydropyrrolo[3,4-h][1,4]benzoxazin-8-yl]piperidine-2,6-dione
CID 170927595
(3S)-3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 12044976
3-(7-cyclopentyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 146601936
3-(7-amino-5-deuterio-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 88575829
3-[3-oxo-6-[(1,2,3,4-tetrahydroquinolin-7-ylamino)methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167723538
3-[7-[(iodoamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 162724516
3-[7-(3,4-dihydro-2H-quinoxalin-1-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167722832
3-(6-hydroxy-7-nitro-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 172602345
2-[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]acetic acid
CID 176908233
4-(2,6-dioxopiperidin-3-yl)-1,3-dihydro-1,4-benzodiazepine-2,5-dione
CID 130431899
2-(2,6-dioxopiperidin-3-yl)-4-(methylamino)-1-oxo-3H-isoindole-5-carbonitrile
CID 172602391
(3S)-3-(3-bromo-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)azepane-2,7-dione
CID 134608405

Frequently Asked Questions

What is the IUPAC name of 3-(3-oxo-6,7,8,9-tetrahydro-1H-pyrrolo[3,4-f]quinolin-2-yl)piperidine-2,6-dione?
The IUPAC name of 3-(3-oxo-6,7,8,9-tetrahydro-1H-pyrrolo[3,4-f]quinolin-2-yl)piperidine-2,6-dione (CID 166660984) is 3-(3-oxo-6,7,8,9-tetrahydro-1H-pyrrolo[3,4-f]quinolin-2-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(3-oxo-6,7,8,9-tetrahydro-1H-pyrrolo[3,4-f]quinolin-2-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(3-oxo-6,7,8,9-tetrahydro-1H-pyrrolo[3,4-f]quinolin-2-yl)piperidine-2,6-dione is O=C1CCC(N2Cc3c(ccc4c3CCCN4)C2=O)C(=O)N1.
What is the InChIKey of 3-(3-oxo-6,7,8,9-tetrahydro-1H-pyrrolo[3,4-f]quinolin-2-yl)piperidine-2,6-dione?
The InChIKey is XJCAGILRPKGAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c20-14-6-5-13(15(21)18-14)19-8-11-9-2-1-7-17-12(9)4-3-10(11)16(19)22/h3-4,13,17H,1-2,5-8H2,(H,18,20,21).
What are the key properties of 3-(3-oxo-6,7,8,9-tetrahydro-1H-pyrrolo[3,4-f]quinolin-2-yl)piperidine-2,6-dione?
3-(3-oxo-6,7,8,9-tetrahydro-1H-pyrrolo[3,4-f]quinolin-2-yl)piperidine-2,6-dione has a molecular weight of 299.33 g/mol, XLogP of 0.81, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-oxo-6,7,8,9-tetrahydro-1H-pyrrolo[3,4-f]quinolin-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 166660984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).