(3R,4R)-1-[(8-methoxyquinolin-2-yl)methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol

C20H23N3O3 — CID 135096390

About (3R,4R)-1-[(8-methoxyquinolin-2-yl)methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol

(3R,4R)-1-[(8-methoxyquinolin-2-yl)methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol (PubChem CID 135096390) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is (3R,4R)-1-[(8-methoxyquinolin-2-yl)methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

• Compound Name: (3R,4R)-1-[(8-methoxyquinolin-2-yl)methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol
• PubChem CID: 135096390
• Molecular Formula: C20H23N3O3
• Molecular Weight: 353.42 g/mol
• Exact Mass: 353.17
• IUPAC Name: (3R,4R)-1-[(8-methoxyquinolin-2-yl)methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol
• SMILES: COc1cccc2ccc(CN3C[C@@H](Cc4cc(C)no4)[C@@H](O)C3)nc12
• InChI: InChI=1S/C20H23N3O3/c1-13-8-17(26-22-13)9-15-10-23(12-18(15)24)11-16-7-6-14-4-3-5-19(25-2)20(14)21-16/h3-8,15,18,24H,9-12H2,1-2H3/t15-,18+/m1/s1
• InChIKey: LRURWEQJBFKGQL-QAPCUYQASA-N
• XLogP: 2.58
• TPSA: 71.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	353.42
LogP ≤ 5	2.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-[(8-methoxyquinolin-2-yl)methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol?

The IUPAC name of (3R,4R)-1-[(8-methoxyquinolin-2-yl)methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol (CID 135096390) is (3R,4R)-1-[(8-methoxyquinolin-2-yl)methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol.

What is the SMILES notation for (3R,4R)-1-[(8-methoxyquinolin-2-yl)methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol?

The canonical SMILES for (3R,4R)-1-[(8-methoxyquinolin-2-yl)methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol is COc1cccc2ccc(CN3C[C@@H](Cc4cc(C)no4)[C@@H](O)C3)nc12.

What is the InChIKey of (3R,4R)-1-[(8-methoxyquinolin-2-yl)methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol?

The InChIKey is LRURWEQJBFKGQL-QAPCUYQASA-N. The full InChI is InChI=1S/C20H23N3O3/c1-13-8-17(26-22-13)9-15-10-23(12-18(15)24)11-16-7-6-14-4-3-5-19(25-2)20(14)21-16/h3-8,15,18,24H,9-12H2,1-2H3/t15-,18+/m1/s1.

What are the key properties of (3R,4R)-1-[(8-methoxyquinolin-2-yl)methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol?

(3R,4R)-1-[(8-methoxyquinolin-2-yl)methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol has a molecular weight of 353.42 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,4R)-1-[(8-methoxyquinolin-2-yl)methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 135096390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).