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

C20H20N2O2 — CID 8872295

IUPAC2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(2-methylphenyl)acetamide
SMILESCC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccccc1C
InChIInChI=1S/C20H20N2O2/c1-14-7-3-6-10-18(14)21-20(24)13-19-17-9-5-4-8-16(17)11-12-22(19)15(2)23/h3-12,19H,13H2,1-2H3,(H,21,24)/t19-/m1/s1
InChIKeyOAOZSFSUSBZGKS-LJQANCHMSA-N
MW320.39 g/mol
LogP3.90
Rot. Bonds3

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

2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(2-methylphenyl)acetamide (PubChem CID 8872295) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(2-methylphenyl)acetamide
PubChem CID8872295
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(2-methylphenyl)acetamide
SMILESCC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccccc1C
InChIInChI=1S/C20H20N2O2/c1-14-7-3-6-10-18(14)21-20(24)13-19-17-9-5-4-8-16(17)11-12-22(19)15(2)23/h3-12,19H,13H2,1-2H3,(H,21,24)/t19-/m1/s1
InChIKeyOAOZSFSUSBZGKS-LJQANCHMSA-N
XLogP3.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-acetamido-2-methylphenyl)-2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetamide
CID 30886465
2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-(2-methyl-4-phenylphenyl)acetamide
CID 51938055
2-(2-acetyl-1H-isoquinolin-1-yl)-N-(2,3-dichlorophenyl)acetamide
CID 51229591
2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-phenylacetamide
CID 8870960
2-[[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]amino]-N-benzylbenzamide
CID 43052968
2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide
CID 40939778
2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(1H-indazol-7-yl)acetamide
CID 34202769
dimethyl 2-[[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]amino]benzene-1,4-dicarboxylate
CID 55412203
2-(2-acetyl-1H-isoquinolin-1-yl)-N-[2-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 43067104
2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]acetamide
CID 51936199
4-[[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]amino]-N-methylbenzamide
CID 17478920
2-(2-acetyl-1H-isoquinolin-1-yl)-N-pentan-3-ylacetamide
CID 134044607

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(2-methylphenyl)acetamide (CID 8872295) is 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(2-methylphenyl)acetamide is CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccccc1C.
What is the InChIKey of 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(2-methylphenyl)acetamide?
The InChIKey is OAOZSFSUSBZGKS-LJQANCHMSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-14-7-3-6-10-18(14)21-20(24)13-19-17-9-5-4-8-16(17)11-12-22(19)15(2)23/h3-12,19H,13H2,1-2H3,(H,21,24)/t19-/m1/s1.
What are the key properties of 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(2-methylphenyl)acetamide?
2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(2-methylphenyl)acetamide has a molecular weight of 320.39 g/mol, XLogP of 3.90, 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-(2-methylphenyl)acetamide is sourced from PubChem (CID 8872295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).