2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-phenylacetamide

C19H18N2O2 — CID 8870960

IUPAC2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-phenylacetamide
SMILESCC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccccc1
InChIInChI=1S/C19H18N2O2/c1-14(22)21-12-11-15-7-5-6-10-17(15)18(21)13-19(23)20-16-8-3-2-4-9-16/h2-12,18H,13H2,1H3,(H,20,23)/t18-/m1/s1
InChIKeyFKZCGEFZRDCMME-GOSISDBHSA-N
MW306.37 g/mol
LogP3.59
Rot. Bonds3

About 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-phenylacetamide

2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-phenylacetamide (PubChem CID 8870960) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-phenylacetamide
PubChem CID8870960
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-phenylacetamide
SMILESCC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccccc1
InChIInChI=1S/C19H18N2O2/c1-14(22)21-12-11-15-7-5-6-10-17(15)18(21)13-19(23)20-16-8-3-2-4-9-16/h2-12,18H,13H2,1H3,(H,20,23)/t18-/m1/s1
InChIKeyFKZCGEFZRDCMME-GOSISDBHSA-N
XLogP3.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetyl]amino]benzamide
CID 26009427
4-[[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]amino]-N-methylbenzamide
CID 17478920
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
4-[[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]amino]-N,N-diethylbenzamide
CID 17481724
2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(3-methylsulfonylphenyl)acetamide
CID 9072708
2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(2-methylphenyl)acetamide
CID 8872295
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-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]acetamide
CID 51938149
N-(3-acetamido-2-methylphenyl)-2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetamide
CID 30886465

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-phenylacetamide (CID 8870960) is 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-phenylacetamide is CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccccc1.
What is the InChIKey of 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-phenylacetamide?
The InChIKey is FKZCGEFZRDCMME-GOSISDBHSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-14(22)21-12-11-15-7-5-6-10-17(15)18(21)13-19(23)20-16-8-3-2-4-9-16/h2-12,18H,13H2,1H3,(H,20,23)/t18-/m1/s1.
What are the key properties of 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-phenylacetamide?
2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-phenylacetamide has a molecular weight of 306.37 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 8870960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).