[(3R,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone

C21H22N2O4 — CID 155507941

About [(3R,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone

[(3R,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone (PubChem CID 155507941) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is [(3R,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone.

Molecular Properties

• Compound Name: [(3R,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone
• PubChem CID: 155507941
• Molecular Formula: C21H22N2O4
• Molecular Weight: 366.42 g/mol
• Exact Mass: 366.16
• IUPAC Name: [(3R,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone
• SMILES: COCc1ccc(C(=O)N2C[C@@H](Cc3ccnc4ccccc34)[C@@H](O)C2)o1
• InChI: InChI=1S/C21H22N2O4/c1-26-13-16-6-7-20(27-16)21(25)23-11-15(19(24)12-23)10-14-8-9-22-18-5-3-2-4-17(14)18/h2-9,15,19,24H,10-13H2,1H3/t15-,19+/m1/s1
• InChIKey: QWDROKWRCCEBFU-BEFAXECRSA-N
• XLogP: 2.65
• TPSA: 75.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.42
LogP ≤ 5	2.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone?

The IUPAC name of [(3R,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone (CID 155507941) is [(3R,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone.

What is the SMILES notation for [(3R,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone?

The canonical SMILES for [(3R,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone is COCc1ccc(C(=O)N2C[C@@H](Cc3ccnc4ccccc34)[C@@H](O)C2)o1.

What is the InChIKey of [(3R,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone?

The InChIKey is QWDROKWRCCEBFU-BEFAXECRSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-26-13-16-6-7-20(27-16)21(25)23-11-15(19(24)12-23)10-14-8-9-22-18-5-3-2-4-17(14)18/h2-9,15,19,24H,10-13H2,1H3/t15-,19+/m1/s1.

What are the key properties of [(3R,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone?

[(3R,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone has a molecular weight of 366.42 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone is sourced from PubChem (CID 155507941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).