1-quinolin-3-ylpyrrole-2,5-dione

C13H8N2O2 — CID 62783124

IUPAC1-quinolin-3-ylpyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1cnc2ccccc2c1
InChIInChI=1S/C13H8N2O2/c16-12-5-6-13(17)15(12)10-7-9-3-1-2-4-11(9)14-8-10/h1-8H
InChIKeySULCCMMPZVTKSU-UHFFFAOYSA-N
MW224.22 g/mol
LogP1.66
Rot. Bonds1

About 1-quinolin-3-ylpyrrole-2,5-dione

1-quinolin-3-ylpyrrole-2,5-dione (PubChem CID 62783124) has the molecular formula C13H8N2O2 and a molecular weight of 224.22 g/mol. Its IUPAC name is 1-quinolin-3-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-quinolin-3-ylpyrrole-2,5-dione
PubChem CID62783124
Molecular FormulaC13H8N2O2
Molecular Weight224.22 g/mol
Exact Mass224.06
IUPAC Name1-quinolin-3-ylpyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1cnc2ccccc2c1
InChIInChI=1S/C13H8N2O2/c16-12-5-6-13(17)15(12)10-7-9-3-1-2-4-11(9)14-8-10/h1-8H
InChIKeySULCCMMPZVTKSU-UHFFFAOYSA-N
XLogP1.66
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,3-dimethyl-1-quinolin-3-yl-4H-quinolin-2-one
CID 71426612
9-quinolin-3-ylcarbazole
CID 138984974
3-quinolin-3-yl-1H-benzimidazol-2-one
CID 150795501
3,3,4,4,8-pentamethyl-1-quinolin-3-ylquinolin-2-one
CID 71426559
CID 174439431
CID 174439431
1-[4-(2,5-dioxopyrrol-1-yl)naphthalen-2-yl]pyrrole-2,5-dione
CID 22712689
3-quinolin-3-yl-1H-quinazoline-2,4-dione
CID 17221486
4-quinolin-3-ylpiperazine-1-carboxylic acid
CID 69402111
5-chloro-3-methyl-1-quinolin-3-yl-3,4-dihydroquinolin-2-one
CID 71426575
3-piperazin-1-ylquinoline;dihydrochloride
CID 54593446
3-(4,4-difluoropiperidin-1-yl)quinoline
CID 144553377
4-quinolin-3-yl-1H-1,2,4-triazole-5-thione
CID 62781146

Frequently Asked Questions

What is the IUPAC name of 1-quinolin-3-ylpyrrole-2,5-dione?
The IUPAC name of 1-quinolin-3-ylpyrrole-2,5-dione (CID 62783124) is 1-quinolin-3-ylpyrrole-2,5-dione.
What is the SMILES notation for 1-quinolin-3-ylpyrrole-2,5-dione?
The canonical SMILES for 1-quinolin-3-ylpyrrole-2,5-dione is O=C1C=CC(=O)N1c1cnc2ccccc2c1.
What is the InChIKey of 1-quinolin-3-ylpyrrole-2,5-dione?
The InChIKey is SULCCMMPZVTKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O2/c16-12-5-6-13(17)15(12)10-7-9-3-1-2-4-11(9)14-8-10/h1-8H.
What are the key properties of 1-quinolin-3-ylpyrrole-2,5-dione?
1-quinolin-3-ylpyrrole-2,5-dione has a molecular weight of 224.22 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinolin-3-ylpyrrole-2,5-dione is sourced from PubChem (CID 62783124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).