2-(2-acetyl-1H-isoquinolin-1-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide

C23H24N2O2 — CID 51317292

IUPAC2-(2-acetyl-1H-isoquinolin-1-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide
SMILESCC(=O)N1C=Cc2ccccc2C1CC(=O)NCC1(c2ccccc2)CC1
InChIInChI=1S/C23H24N2O2/c1-17(26)25-14-11-18-7-5-6-10-20(18)21(25)15-22(27)24-16-23(12-13-23)19-8-3-2-4-9-19/h2-11,14,21H,12-13,15-16H2,1H3,(H,24,27)
InChIKeyZXXRPHCCVVZJRW-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.80
Rot. Bonds5

About 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide

2-(2-acetyl-1H-isoquinolin-1-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide (PubChem CID 51317292) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-acetyl-1H-isoquinolin-1-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide
PubChem CID51317292
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name2-(2-acetyl-1H-isoquinolin-1-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide
SMILESCC(=O)N1C=Cc2ccccc2C1CC(=O)NCC1(c2ccccc2)CC1
InChIInChI=1S/C23H24N2O2/c1-17(26)25-14-11-18-7-5-6-10-20(18)21(25)15-22(27)24-16-23(12-13-23)19-8-3-2-4-9-19/h2-11,14,21H,12-13,15-16H2,1H3,(H,24,27)
InChIKeyZXXRPHCCVVZJRW-UHFFFAOYSA-N
XLogP3.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-acetyl-1H-isoquinolin-1-yl)-N-(3-hydroxypropyl)acetamide
CID 78854714
5-[[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]amino]pentanoic acid
CID 119234430
2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-[2-(cyclopropylamino)-2-oxoethyl]acetamide
CID 8963976
2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-(2-phenylsulfanylethyl)acetamide
CID 8529460
2-(2-acetyl-1H-isoquinolin-1-yl)-N-(3-aminobutyl)acetamide;hydrochloride
CID 119260378
2-(2-acetyl-1H-isoquinolin-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 51238433
2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(1-adamantyl)acetamide
CID 26687467
2-(2-acetyl-1H-isoquinolin-1-yl)-N-(1-acetylpiperidin-4-yl)acetamide
CID 45352268
4-[[2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetyl]amino]benzamide
CID 26009427
2-(2-acetyl-1H-isoquinolin-1-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 51238652
2-(2-acetyl-1H-isoquinolin-1-yl)-N-[4-(N-methylanilino)butyl]acetamide
CID 60566558
2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[[(3S)-oxan-3-yl]methyl]acetamide
CID 94632794

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide?
The IUPAC name of 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide (CID 51317292) is 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide.
What is the SMILES notation for 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide?
The canonical SMILES for 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide is CC(=O)N1C=Cc2ccccc2C1CC(=O)NCC1(c2ccccc2)CC1.
What is the InChIKey of 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide?
The InChIKey is ZXXRPHCCVVZJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-17(26)25-14-11-18-7-5-6-10-20(18)21(25)15-22(27)24-16-23(12-13-23)19-8-3-2-4-9-19/h2-11,14,21H,12-13,15-16H2,1H3,(H,24,27).
What are the key properties of 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide?
2-(2-acetyl-1H-isoquinolin-1-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide has a molecular weight of 360.46 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide is sourced from PubChem (CID 51317292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).