4-[[2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetyl]amino]benzamide

C20H19N3O3 — CID 26009427

IUPAC4-[[2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetyl]amino]benzamide
SMILESCC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C20H19N3O3/c1-13(24)23-11-10-14-4-2-3-5-17(14)18(23)12-19(25)22-16-8-6-15(7-9-16)20(21)26/h2-11,18H,12H2,1H3,(H2,21,26)(H,22,25)/t18-/m0/s1
InChIKeyQVFJNQOZNAIRPM-SFHVURJKSA-N
MW349.39 g/mol
LogP2.69
Rot. Bonds4

About 4-[[2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetyl]amino]benzamide

4-[[2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetyl]amino]benzamide (PubChem CID 26009427) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 4-[[2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetyl]amino]benzamide
PubChem CID26009427
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name4-[[2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetyl]amino]benzamide
SMILESCC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C20H19N3O3/c1-13(24)23-11-10-14-4-2-3-5-17(14)18(23)12-19(25)22-16-8-6-15(7-9-16)20(21)26/h2-11,18H,12H2,1H3,(H2,21,26)(H,22,25)/t18-/m0/s1
InChIKeyQVFJNQOZNAIRPM-SFHVURJKSA-N
XLogP2.69
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetyl]amino]benzamide with MolForge

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Related Compounds

2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-phenylacetamide
CID 8870960
4-[[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]amino]-N-methylbenzamide
CID 17478920
4-[[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]amino]-N,N-diethylbenzamide
CID 17481724
2-(2-acetyl-1H-isoquinolin-1-yl)-N-[4-(phenylsulfamoyl)phenyl]acetamide
CID 42934924
2-(2-acetyl-1H-isoquinolin-1-yl)-N-(3-iodophenyl)acetamide
CID 43013559
2-(2-acetyl-1H-isoquinolin-1-yl)-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide
CID 60552472
N-[4-[1-[[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]amino]ethyl]phenyl]propanamide
CID 46441324
2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[4-(4-ethylpiperazin-1-yl)phenyl]acetamide
CID 25356886
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetate
CID 11927706
2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]acetamide
CID 51938149
2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(2-methylphenyl)acetamide
CID 8872295
2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 51707772

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetyl]amino]benzamide?
The IUPAC name of 4-[[2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetyl]amino]benzamide (CID 26009427) is 4-[[2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetyl]amino]benzamide is CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[[2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetyl]amino]benzamide?
The InChIKey is QVFJNQOZNAIRPM-SFHVURJKSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-13(24)23-11-10-14-4-2-3-5-17(14)18(23)12-19(25)22-16-8-6-15(7-9-16)20(21)26/h2-11,18H,12H2,1H3,(H2,21,26)(H,22,25)/t18-/m0/s1.
What are the key properties of 4-[[2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetyl]amino]benzamide?
4-[[2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetyl]amino]benzamide has a molecular weight of 349.39 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetyl]amino]benzamide is sourced from PubChem (CID 26009427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).