3-methyl-1-(2-methylquinolin-8-yl)pyrrole-2,5-dione

C15H12N2O2 — CID 62952760

IUPAC3-methyl-1-(2-methylquinolin-8-yl)pyrrole-2,5-dione
SMILESCC1=CC(=O)N(c2cccc3ccc(C)nc23)C1=O
InChIInChI=1S/C15H12N2O2/c1-9-8-13(18)17(15(9)19)12-5-3-4-11-7-6-10(2)16-14(11)12/h3-8H,1-2H3
InChIKeyIRZJUZAKQLONKR-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.36
Rot. Bonds1

About 3-methyl-1-(2-methylquinolin-8-yl)pyrrole-2,5-dione

3-methyl-1-(2-methylquinolin-8-yl)pyrrole-2,5-dione (PubChem CID 62952760) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 3-methyl-1-(2-methylquinolin-8-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-(2-methylquinolin-8-yl)pyrrole-2,5-dione
PubChem CID62952760
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name3-methyl-1-(2-methylquinolin-8-yl)pyrrole-2,5-dione
SMILESCC1=CC(=O)N(c2cccc3ccc(C)nc23)C1=O
InChIInChI=1S/C15H12N2O2/c1-9-8-13(18)17(15(9)19)12-5-3-4-11-7-6-10(2)16-14(11)12/h3-8H,1-2H3
InChIKeyIRZJUZAKQLONKR-UHFFFAOYSA-N
XLogP2.36
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methylquinolin-8-yl)pyrrole-2,5-dione?
The IUPAC name of 3-methyl-1-(2-methylquinolin-8-yl)pyrrole-2,5-dione (CID 62952760) is 3-methyl-1-(2-methylquinolin-8-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-methyl-1-(2-methylquinolin-8-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-methyl-1-(2-methylquinolin-8-yl)pyrrole-2,5-dione is CC1=CC(=O)N(c2cccc3ccc(C)nc23)C1=O.
What is the InChIKey of 3-methyl-1-(2-methylquinolin-8-yl)pyrrole-2,5-dione?
The InChIKey is IRZJUZAKQLONKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-9-8-13(18)17(15(9)19)12-5-3-4-11-7-6-10(2)16-14(11)12/h3-8H,1-2H3.
What are the key properties of 3-methyl-1-(2-methylquinolin-8-yl)pyrrole-2,5-dione?
3-methyl-1-(2-methylquinolin-8-yl)pyrrole-2,5-dione has a molecular weight of 252.27 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methylquinolin-8-yl)pyrrole-2,5-dione is sourced from PubChem (CID 62952760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).