5-methyl-5-[[5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-5-(morpholin-4-ylmethyl)-4H-1,2-oxazol-3-yl]methyl]imidazolidine-2,4-dione;bis(methyl 2,2,2-trifluoroacetate)

C36H39F6N5O9 — CID 11468462

About 5-methyl-5-[[5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-5-(morpholin-4-ylmethyl)-4H-1,2-oxazol-3-yl]methyl]imidazolidine-2,4-dione;bis(methyl 2,2,2-trifluoroacetate)

5-methyl-5-[[5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-5-(morpholin-4-ylmethyl)-4H-1,2-oxazol-3-yl]methyl]imidazolidine-2,4-dione;bis(methyl 2,2,2-trifluoroacetate) (PubChem CID 11468462) has the molecular formula C36H39F6N5O9 and a molecular weight of 799.72 g/mol. Its IUPAC name is 5-methyl-5-[[5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-5-(morpholin-4-ylmethyl)-4H-1,2-oxazol-3-yl]methyl]imidazolidine-2,4-dione;bis(methyl 2,2,2-trifluoroacetate).

Molecular Properties

• Compound Name: 5-methyl-5-[[5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-5-(morpholin-4-ylmethyl)-4H-1,2-oxazol-3-yl]methyl]imidazolidine-2,4-dione;bis(methyl 2,2,2-trifluoroacetate)
• PubChem CID: 11468462
• Molecular Formula: C36H39F6N5O9
• Molecular Weight: 799.72 g/mol
• Exact Mass: 799.27
• IUPAC Name: 5-methyl-5-[[5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-5-(morpholin-4-ylmethyl)-4H-1,2-oxazol-3-yl]methyl]imidazolidine-2,4-dione;bis(methyl 2,2,2-trifluoroacetate)
• SMILES: COC(=O)C(F)(F)F.COC(=O)C(F)(F)F.Cc1cc(COc2ccc(C3(CN4CCOCC4)CC(CC4(C)NC(=O)NC4=O)=NO3)cc2)c2ccccc2n1
• InChI: InChI=1S/C30H33N5O5.2C3H3F3O2/c1-20-15-21(25-5-3-4-6-26(25)31-20)18-39-24-9-7-22(8-10-24)30(19-35-11-13-38-14-12-35)17-23(34-40-30)16-29(2)27(36)32-28(37)33-29;2*1-8-2(7)3(4,5)6/h3-10,15H,11-14,16-19H2,1-2H3,(H2,32,33,36,37);2*1H3
• InChIKey: IZRVTIMNZQOROD-UHFFFAOYSA-N
• XLogP: 4.86
• TPSA: 166.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	799.72
LogP ≤ 5	4.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-[[5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-5-(morpholin-4-ylmethyl)-4H-1,2-oxazol-3-yl]methyl]imidazolidine-2,4-dione;bis(methyl 2,2,2-trifluoroacetate)?

The IUPAC name of 5-methyl-5-[[5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-5-(morpholin-4-ylmethyl)-4H-1,2-oxazol-3-yl]methyl]imidazolidine-2,4-dione;bis(methyl 2,2,2-trifluoroacetate) (CID 11468462) is 5-methyl-5-[[5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-5-(morpholin-4-ylmethyl)-4H-1,2-oxazol-3-yl]methyl]imidazolidine-2,4-dione;bis(methyl 2,2,2-trifluoroacetate).

What is the SMILES notation for 5-methyl-5-[[5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-5-(morpholin-4-ylmethyl)-4H-1,2-oxazol-3-yl]methyl]imidazolidine-2,4-dione;bis(methyl 2,2,2-trifluoroacetate)?

The canonical SMILES for 5-methyl-5-[[5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-5-(morpholin-4-ylmethyl)-4H-1,2-oxazol-3-yl]methyl]imidazolidine-2,4-dione;bis(methyl 2,2,2-trifluoroacetate) is COC(=O)C(F)(F)F.COC(=O)C(F)(F)F.Cc1cc(COc2ccc(C3(CN4CCOCC4)CC(CC4(C)NC(=O)NC4=O)=NO3)cc2)c2ccccc2n1.

What is the InChIKey of 5-methyl-5-[[5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-5-(morpholin-4-ylmethyl)-4H-1,2-oxazol-3-yl]methyl]imidazolidine-2,4-dione;bis(methyl 2,2,2-trifluoroacetate)?

The InChIKey is IZRVTIMNZQOROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N5O5.2C3H3F3O2/c1-20-15-21(25-5-3-4-6-26(25)31-20)18-39-24-9-7-22(8-10-24)30(19-35-11-13-38-14-12-35)17-23(34-40-30)16-29(2)27(36)32-28(37)33-29;2*1-8-2(7)3(4,5)6/h3-10,15H,11-14,16-19H2,1-2H3,(H2,32,33,36,37);2*1H3.

What are the key properties of 5-methyl-5-[[5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-5-(morpholin-4-ylmethyl)-4H-1,2-oxazol-3-yl]methyl]imidazolidine-2,4-dione;bis(methyl 2,2,2-trifluoroacetate)?

5-methyl-5-[[5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-5-(morpholin-4-ylmethyl)-4H-1,2-oxazol-3-yl]methyl]imidazolidine-2,4-dione;bis(methyl 2,2,2-trifluoroacetate) has a molecular weight of 799.72 g/mol, XLogP of 4.86, 8 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-5-[[5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-5-(morpholin-4-ylmethyl)-4H-1,2-oxazol-3-yl]methyl]imidazolidine-2,4-dione;bis(methyl 2,2,2-trifluoroacetate) is sourced from PubChem (CID 11468462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).