3-(benzo[f]quinolin-3-ylmethyl)-1-phenylpyrrolidine-2,5-dione

C24H18N2O2 — CID 102429646

IUPAC3-(benzo[f]quinolin-3-ylmethyl)-1-phenylpyrrolidine-2,5-dione
SMILESO=C1CC(Cc2ccc3c(ccc4ccccc43)n2)C(=O)N1c1ccccc1
InChIInChI=1S/C24H18N2O2/c27-23-15-17(24(28)26(23)19-7-2-1-3-8-19)14-18-11-12-21-20-9-5-4-6-16(20)10-13-22(21)25-18/h1-13,17H,14-15H2
InChIKeyFDWBEHATWGPEHJ-UHFFFAOYSA-N
MW366.42 g/mol
LogP4.51
Rot. Bonds3

About 3-(benzo[f]quinolin-3-ylmethyl)-1-phenylpyrrolidine-2,5-dione

3-(benzo[f]quinolin-3-ylmethyl)-1-phenylpyrrolidine-2,5-dione (PubChem CID 102429646) has the molecular formula C24H18N2O2 and a molecular weight of 366.42 g/mol. Its IUPAC name is 3-(benzo[f]quinolin-3-ylmethyl)-1-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(benzo[f]quinolin-3-ylmethyl)-1-phenylpyrrolidine-2,5-dione
PubChem CID102429646
Molecular FormulaC24H18N2O2
Molecular Weight366.42 g/mol
Exact Mass366.14
IUPAC Name3-(benzo[f]quinolin-3-ylmethyl)-1-phenylpyrrolidine-2,5-dione
SMILESO=C1CC(Cc2ccc3c(ccc4ccccc43)n2)C(=O)N1c1ccccc1
InChIInChI=1S/C24H18N2O2/c27-23-15-17(24(28)26(23)19-7-2-1-3-8-19)14-18-11-12-21-20-9-5-4-6-16(20)10-13-22(21)25-18/h1-13,17H,14-15H2
InChIKeyFDWBEHATWGPEHJ-UHFFFAOYSA-N
XLogP4.51
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(benzo[f]quinolin-3-ylmethyl)-1-phenylpyrrolidine-2,5-dione?
The IUPAC name of 3-(benzo[f]quinolin-3-ylmethyl)-1-phenylpyrrolidine-2,5-dione (CID 102429646) is 3-(benzo[f]quinolin-3-ylmethyl)-1-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(benzo[f]quinolin-3-ylmethyl)-1-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(benzo[f]quinolin-3-ylmethyl)-1-phenylpyrrolidine-2,5-dione is O=C1CC(Cc2ccc3c(ccc4ccccc43)n2)C(=O)N1c1ccccc1.
What is the InChIKey of 3-(benzo[f]quinolin-3-ylmethyl)-1-phenylpyrrolidine-2,5-dione?
The InChIKey is FDWBEHATWGPEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O2/c27-23-15-17(24(28)26(23)19-7-2-1-3-8-19)14-18-11-12-21-20-9-5-4-6-16(20)10-13-22(21)25-18/h1-13,17H,14-15H2.
What are the key properties of 3-(benzo[f]quinolin-3-ylmethyl)-1-phenylpyrrolidine-2,5-dione?
3-(benzo[f]quinolin-3-ylmethyl)-1-phenylpyrrolidine-2,5-dione has a molecular weight of 366.42 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzo[f]quinolin-3-ylmethyl)-1-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 102429646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).