2-(3-methyl-1,2-oxazol-5-yl)-N-[2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]acetamide

C26H26N4O2 — CID 25116573

About 2-(3-methyl-1,2-oxazol-5-yl)-N-[2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]acetamide

2-(3-methyl-1,2-oxazol-5-yl)-N-[2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]acetamide (PubChem CID 25116573) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is 2-(3-methyl-1,2-oxazol-5-yl)-N-[2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]acetamide.

Molecular Properties

• Compound Name: 2-(3-methyl-1,2-oxazol-5-yl)-N-[2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]acetamide
• PubChem CID: 25116573
• Molecular Formula: C26H26N4O2
• Molecular Weight: 426.52 g/mol
• Exact Mass: 426.21
• IUPAC Name: 2-(3-methyl-1,2-oxazol-5-yl)-N-[2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]acetamide
• SMILES: Cc1cc(CC(=O)Nc2ccc3nc(C)cc(N4CCC(c5ccccc5)C4)c3c2)on1
• InChI: InChI=1S/C26H26N4O2/c1-17-13-25(30-11-10-20(16-30)19-6-4-3-5-7-19)23-14-21(8-9-24(23)27-17)28-26(31)15-22-12-18(2)29-32-22/h3-9,12-14,20H,10-11,15-16H2,1-2H3,(H,28,31)
• InChIKey: LMDPZSZQFZIHFI-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 71.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	426.52
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1,2-oxazol-5-yl)-N-[2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]acetamide?

The IUPAC name of 2-(3-methyl-1,2-oxazol-5-yl)-N-[2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]acetamide (CID 25116573) is 2-(3-methyl-1,2-oxazol-5-yl)-N-[2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]acetamide.

What is the SMILES notation for 2-(3-methyl-1,2-oxazol-5-yl)-N-[2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]acetamide?

The canonical SMILES for 2-(3-methyl-1,2-oxazol-5-yl)-N-[2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]acetamide is Cc1cc(CC(=O)Nc2ccc3nc(C)cc(N4CCC(c5ccccc5)C4)c3c2)on1.

What is the InChIKey of 2-(3-methyl-1,2-oxazol-5-yl)-N-[2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]acetamide?

The InChIKey is LMDPZSZQFZIHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-17-13-25(30-11-10-20(16-30)19-6-4-3-5-7-19)23-14-21(8-9-24(23)27-17)28-26(31)15-22-12-18(2)29-32-22/h3-9,12-14,20H,10-11,15-16H2,1-2H3,(H,28,31).

What are the key properties of 2-(3-methyl-1,2-oxazol-5-yl)-N-[2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]acetamide?

2-(3-methyl-1,2-oxazol-5-yl)-N-[2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]acetamide has a molecular weight of 426.52 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-methyl-1,2-oxazol-5-yl)-N-[2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]acetamide is sourced from PubChem (CID 25116573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).