5-[[3-methyl-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione

C30H34N4O4 — CID 10075187

About 5-[[3-methyl-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione

5-[[3-methyl-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione (PubChem CID 10075187) has the molecular formula C30H34N4O4 and a molecular weight of 514.63 g/mol. Its IUPAC name is 5-[[3-methyl-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[[3-methyl-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
• PubChem CID: 10075187
• Molecular Formula: C30H34N4O4
• Molecular Weight: 514.63 g/mol
• Exact Mass: 514.26
• IUPAC Name: 5-[[3-methyl-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
• SMILES: Cc1cc(COc2ccc(C3(C)CCN(CC4(CC(C)C)NC(=O)NC4=O)C3=O)cc2)c2ccccc2n1
• InChI: InChI=1S/C30H34N4O4/c1-19(2)16-30(26(35)32-28(37)33-30)18-34-14-13-29(4,27(34)36)22-9-11-23(12-10-22)38-17-21-15-20(3)31-25-8-6-5-7-24(21)25/h5-12,15,19H,13-14,16-18H2,1-4H3,(H2,32,33,35,37)
• InChIKey: JCXGETCEEGFNLR-UHFFFAOYSA-N
• XLogP: 4.24
• TPSA: 100.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.63
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[[3-methyl-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione?

The IUPAC name of 5-[[3-methyl-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione (CID 10075187) is 5-[[3-methyl-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione.

What is the SMILES notation for 5-[[3-methyl-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione?

The canonical SMILES for 5-[[3-methyl-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione is Cc1cc(COc2ccc(C3(C)CCN(CC4(CC(C)C)NC(=O)NC4=O)C3=O)cc2)c2ccccc2n1.

What is the InChIKey of 5-[[3-methyl-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione?

The InChIKey is JCXGETCEEGFNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O4/c1-19(2)16-30(26(35)32-28(37)33-30)18-34-14-13-29(4,27(34)36)22-9-11-23(12-10-22)38-17-21-15-20(3)31-25-8-6-5-7-24(21)25/h5-12,15,19H,13-14,16-18H2,1-4H3,(H2,32,33,35,37).

What are the key properties of 5-[[3-methyl-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione?

5-[[3-methyl-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione has a molecular weight of 514.63 g/mol, XLogP of 4.24, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[3-methyl-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione is sourced from PubChem (CID 10075187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).