5-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]-1-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridin-2-one

C21H21N3O5 — CID 25019422

About 5-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]-1-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridin-2-one

5-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]-1-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridin-2-one (PubChem CID 25019422) has the molecular formula C21H21N3O5 and a molecular weight of 395.42 g/mol. Its IUPAC name is 5-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]-1-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridin-2-one.

Molecular Properties

• Compound Name: 5-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]-1-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridin-2-one
• PubChem CID: 25019422
• Molecular Formula: C21H21N3O5
• Molecular Weight: 395.42 g/mol
• Exact Mass: 395.15
• IUPAC Name: 5-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]-1-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridin-2-one
• SMILES: COc1ccc2c(OCCn3cc(N4CC[C@H](O)C4=O)ccc3=O)ccnc2c1
• InChI: InChI=1S/C21H21N3O5/c1-28-15-3-4-16-17(12-15)22-8-6-19(16)29-11-10-23-13-14(2-5-20(23)26)24-9-7-18(25)21(24)27/h2-6,8,12-13,18,25H,7,9-11H2,1H3/t18-/m0/s1
• InChIKey: FLYIEUWJFMJADL-SFHVURJKSA-N
• XLogP: 1.58
• TPSA: 93.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.42
LogP ≤ 5	1.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]-1-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridin-2-one?

The IUPAC name of 5-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]-1-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridin-2-one (CID 25019422) is 5-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]-1-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridin-2-one.

What is the SMILES notation for 5-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]-1-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridin-2-one?

The canonical SMILES for 5-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]-1-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridin-2-one is COc1ccc2c(OCCn3cc(N4CC[C@H](O)C4=O)ccc3=O)ccnc2c1.

What is the InChIKey of 5-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]-1-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridin-2-one?

The InChIKey is FLYIEUWJFMJADL-SFHVURJKSA-N. The full InChI is InChI=1S/C21H21N3O5/c1-28-15-3-4-16-17(12-15)22-8-6-19(16)29-11-10-23-13-14(2-5-20(23)26)24-9-7-18(25)21(24)27/h2-6,8,12-13,18,25H,7,9-11H2,1H3/t18-/m0/s1.

What are the key properties of 5-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]-1-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridin-2-one?

5-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]-1-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridin-2-one has a molecular weight of 395.42 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]-1-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridin-2-one is sourced from PubChem (CID 25019422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).