2-methyl-1-[2-oxo-2-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]quinolin-4-one

C22H25N3O3 — CID 72902416

About 2-methyl-1-[2-oxo-2-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]quinolin-4-one

2-methyl-1-[2-oxo-2-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]quinolin-4-one (PubChem CID 72902416) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-methyl-1-[2-oxo-2-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]quinolin-4-one.

Molecular Properties

• Compound Name: 2-methyl-1-[2-oxo-2-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]quinolin-4-one
• PubChem CID: 72902416
• Molecular Formula: C22H25N3O3
• Molecular Weight: 379.46 g/mol
• Exact Mass: 379.19
• IUPAC Name: 2-methyl-1-[2-oxo-2-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]quinolin-4-one
• SMILES: Cc1cc(=O)c2ccccc2n1CC(=O)N1CCCC1c1cc(C(C)C)on1
• InChI: InChI=1S/C22H25N3O3/c1-14(2)21-12-17(23-28-21)19-9-6-10-24(19)22(27)13-25-15(3)11-20(26)16-7-4-5-8-18(16)25/h4-5,7-8,11-12,14,19H,6,9-10,13H2,1-3H3
• InChIKey: QAHUXAKZRWWCPS-UHFFFAOYSA-N
• XLogP: 3.79
• TPSA: 68.34 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.46
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-oxo-2-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]quinolin-4-one?

The IUPAC name of 2-methyl-1-[2-oxo-2-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]quinolin-4-one (CID 72902416) is 2-methyl-1-[2-oxo-2-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]quinolin-4-one.

What is the SMILES notation for 2-methyl-1-[2-oxo-2-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]quinolin-4-one?

The canonical SMILES for 2-methyl-1-[2-oxo-2-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]quinolin-4-one is Cc1cc(=O)c2ccccc2n1CC(=O)N1CCCC1c1cc(C(C)C)on1.

What is the InChIKey of 2-methyl-1-[2-oxo-2-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]quinolin-4-one?

The InChIKey is QAHUXAKZRWWCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-14(2)21-12-17(23-28-21)19-9-6-10-24(19)22(27)13-25-15(3)11-20(26)16-7-4-5-8-18(16)25/h4-5,7-8,11-12,14,19H,6,9-10,13H2,1-3H3.

What are the key properties of 2-methyl-1-[2-oxo-2-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]quinolin-4-one?

2-methyl-1-[2-oxo-2-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]quinolin-4-one has a molecular weight of 379.46 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-1-[2-oxo-2-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]quinolin-4-one is sourced from PubChem (CID 72902416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).