1-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone

C24H28N2O3 — CID 9328725

About 1-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone

1-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone (PubChem CID 9328725) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 1-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone.

Molecular Properties

• Compound Name: 1-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
• PubChem CID: 9328725
• Molecular Formula: C24H28N2O3
• Molecular Weight: 392.50 g/mol
• Exact Mass: 392.21
• IUPAC Name: 1-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
• SMILES: Cc1ccc2c(c1)CCCN2CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2
• InChI: InChI=1S/C24H28N2O3/c1-17-6-8-20-18(14-17)4-2-10-25(20)16-24(27)26-11-3-5-21(26)19-7-9-22-23(15-19)29-13-12-28-22/h6-9,14-15,21H,2-5,10-13,16H2,1H3/t21-/m1/s1
• InChIKey: NEZDOBZHEOQHKU-OAQYLSRUSA-N
• XLogP: 3.88
• TPSA: 42.01 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.50
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?

The IUPAC name of 1-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone (CID 9328725) is 1-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone.

What is the SMILES notation for 1-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?

The canonical SMILES for 1-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone is Cc1ccc2c(c1)CCCN2CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2.

What is the InChIKey of 1-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?

The InChIKey is NEZDOBZHEOQHKU-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-17-6-8-20-18(14-17)4-2-10-25(20)16-24(27)26-11-3-5-21(26)19-7-9-22-23(15-19)29-13-12-28-22/h6-9,14-15,21H,2-5,10-13,16H2,1H3/t21-/m1/s1.

What are the key properties of 1-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?

1-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone has a molecular weight of 392.50 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone is sourced from PubChem (CID 9328725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).