3-[(3-methylphenyl)methyl]-1-quinolin-2-ylpyrrolidine-2,5-dione

C21H18N2O2 — CID 2893153

IUPAC3-[(3-methylphenyl)methyl]-1-quinolin-2-ylpyrrolidine-2,5-dione
SMILESCc1cccc(CC2CC(=O)N(c3ccc4ccccc4n3)C2=O)c1
InChIInChI=1S/C21H18N2O2/c1-14-5-4-6-15(11-14)12-17-13-20(24)23(21(17)25)19-10-9-16-7-2-3-8-18(16)22-19/h2-11,17H,12-13H2,1H3
InChIKeyMWYUDYWPAZCWCX-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.67
Rot. Bonds3

About 3-[(3-methylphenyl)methyl]-1-quinolin-2-ylpyrrolidine-2,5-dione

3-[(3-methylphenyl)methyl]-1-quinolin-2-ylpyrrolidine-2,5-dione (PubChem CID 2893153) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 3-[(3-methylphenyl)methyl]-1-quinolin-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(3-methylphenyl)methyl]-1-quinolin-2-ylpyrrolidine-2,5-dione
PubChem CID2893153
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC Name3-[(3-methylphenyl)methyl]-1-quinolin-2-ylpyrrolidine-2,5-dione
SMILESCc1cccc(CC2CC(=O)N(c3ccc4ccccc4n3)C2=O)c1
InChIInChI=1S/C21H18N2O2/c1-14-5-4-6-15(11-14)12-17-13-20(24)23(21(17)25)19-10-9-16-7-2-3-8-18(16)22-19/h2-11,17H,12-13H2,1H3
InChIKeyMWYUDYWPAZCWCX-UHFFFAOYSA-N
XLogP3.67
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.67
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-[(3-methylphenyl)methyl]-1-quinolin-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 3-[(3-methylphenyl)methyl]-1-quinolin-2-ylpyrrolidine-2,5-dione (CID 2893153) is 3-[(3-methylphenyl)methyl]-1-quinolin-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(3-methylphenyl)methyl]-1-quinolin-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[(3-methylphenyl)methyl]-1-quinolin-2-ylpyrrolidine-2,5-dione is Cc1cccc(CC2CC(=O)N(c3ccc4ccccc4n3)C2=O)c1.
What is the InChIKey of 3-[(3-methylphenyl)methyl]-1-quinolin-2-ylpyrrolidine-2,5-dione?
The InChIKey is MWYUDYWPAZCWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2/c1-14-5-4-6-15(11-14)12-17-13-20(24)23(21(17)25)19-10-9-16-7-2-3-8-18(16)22-19/h2-11,17H,12-13H2,1H3.
What are the key properties of 3-[(3-methylphenyl)methyl]-1-quinolin-2-ylpyrrolidine-2,5-dione?
3-[(3-methylphenyl)methyl]-1-quinolin-2-ylpyrrolidine-2,5-dione has a molecular weight of 330.39 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylphenyl)methyl]-1-quinolin-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 2893153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).