2-(2-acetyl-1H-isoquinolin-1-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]acetamide

C26H28N2O4 — CID 78831961

IUPAC2-(2-acetyl-1H-isoquinolin-1-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]acetamide
SMILESCC(=O)N1C=Cc2ccccc2C1CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1
InChIInChI=1S/C26H28N2O4/c1-18(29)28-13-10-19-6-2-3-7-21(19)22(28)17-25(30)27-26(11-4-5-12-26)20-8-9-23-24(16-20)32-15-14-31-23/h2-3,6-10,13,16,22H,4-5,11-12,14-15,17H2,1H3,(H,27,30)
InChIKeyDSTQWBCCTWCVPH-UHFFFAOYSA-N
MW432.52 g/mol
LogP4.31
Rot. Bonds4

About 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]acetamide

2-(2-acetyl-1H-isoquinolin-1-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]acetamide (PubChem CID 78831961) has the molecular formula C26H28N2O4 and a molecular weight of 432.52 g/mol. Its IUPAC name is 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]acetamide.

Molecular Properties

Compound Name2-(2-acetyl-1H-isoquinolin-1-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]acetamide
PubChem CID78831961
Molecular FormulaC26H28N2O4
Molecular Weight432.52 g/mol
Exact Mass432.20
IUPAC Name2-(2-acetyl-1H-isoquinolin-1-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]acetamide
SMILESCC(=O)N1C=Cc2ccccc2C1CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1
InChIInChI=1S/C26H28N2O4/c1-18(29)28-13-10-19-6-2-3-7-21(19)22(28)17-25(30)27-26(11-4-5-12-26)20-8-9-23-24(16-20)32-15-14-31-23/h2-3,6-10,13,16,22H,4-5,11-12,14-15,17H2,1H3,(H,27,30)
InChIKeyDSTQWBCCTWCVPH-UHFFFAOYSA-N
XLogP4.31
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]acetamide with MolForge

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Related Compounds

2-(2-acetyl-1H-isoquinolin-1-yl)-N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]acetamide
CID 60549198
2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 9091672
2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(1-adamantyl)acetamide
CID 26687467
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-3-hydroxy-3-phenylbutanamide
CID 126793335
2-(2-acetyl-1H-isoquinolin-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 51238433
2-(2-acetyl-1H-isoquinolin-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 55414460
2-(2-acetyl-1H-isoquinolin-1-yl)-N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]acetamide
CID 42926767
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]propanamide
CID 113091236
2-(2-acetyl-1H-isoquinolin-1-yl)-N-pentan-3-ylacetamide
CID 134044607
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60500684
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-(6-oxopiperidin-2-yl)acetamide
CID 126801193
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-pyridin-2-ylsulfanylacetamide
CID 41479313

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]acetamide?
The IUPAC name of 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]acetamide (CID 78831961) is 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]acetamide.
What is the SMILES notation for 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]acetamide?
The canonical SMILES for 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]acetamide is CC(=O)N1C=Cc2ccccc2C1CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1.
What is the InChIKey of 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]acetamide?
The InChIKey is DSTQWBCCTWCVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O4/c1-18(29)28-13-10-19-6-2-3-7-21(19)22(28)17-25(30)27-26(11-4-5-12-26)20-8-9-23-24(16-20)32-15-14-31-23/h2-3,6-10,13,16,22H,4-5,11-12,14-15,17H2,1H3,(H,27,30).
What are the key properties of 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]acetamide?
2-(2-acetyl-1H-isoquinolin-1-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]acetamide has a molecular weight of 432.52 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]acetamide is sourced from PubChem (CID 78831961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).