(3R,4R)-1-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol

C26H30N2O2 — CID 134704446

About (3R,4R)-1-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol

(3R,4R)-1-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol (PubChem CID 134704446) has the molecular formula C26H30N2O2 and a molecular weight of 402.54 g/mol. Its IUPAC name is (3R,4R)-1-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

• Compound Name: (3R,4R)-1-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
• PubChem CID: 134704446
• Molecular Formula: C26H30N2O2
• Molecular Weight: 402.54 g/mol
• Exact Mass: 402.23
• IUPAC Name: (3R,4R)-1-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
• SMILES: CCOc1cc2c(cc1CN1C[C@@H](Cc3ccnc4ccccc34)[C@@H](O)C1)CCC2
• InChI: InChI=1S/C26H30N2O2/c1-2-30-26-14-19-7-5-6-18(19)12-22(26)16-28-15-21(25(29)17-28)13-20-10-11-27-24-9-4-3-8-23(20)24/h3-4,8-12,14,21,25,29H,2,5-7,13,15-17H2,1H3/t21-,25+/m1/s1
• InChIKey: GWFMOEQQXVXPSS-BWKNWUBXSA-N
• XLogP: 4.16
• TPSA: 45.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.54
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol?

The IUPAC name of (3R,4R)-1-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol (CID 134704446) is (3R,4R)-1-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol.

What is the SMILES notation for (3R,4R)-1-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol?

The canonical SMILES for (3R,4R)-1-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol is CCOc1cc2c(cc1CN1C[C@@H](Cc3ccnc4ccccc34)[C@@H](O)C1)CCC2.

What is the InChIKey of (3R,4R)-1-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol?

The InChIKey is GWFMOEQQXVXPSS-BWKNWUBXSA-N. The full InChI is InChI=1S/C26H30N2O2/c1-2-30-26-14-19-7-5-6-18(19)12-22(26)16-28-15-21(25(29)17-28)13-20-10-11-27-24-9-4-3-8-23(20)24/h3-4,8-12,14,21,25,29H,2,5-7,13,15-17H2,1H3/t21-,25+/m1/s1.

What are the key properties of (3R,4R)-1-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol?

(3R,4R)-1-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol has a molecular weight of 402.54 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,4R)-1-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 134704446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).