2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

C23H24N2O2 — CID 9081455

IUPAC2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C23H24N2O2/c1-16(26)25-14-13-18-8-3-5-11-20(18)22(25)15-23(27)24-21-12-6-9-17-7-2-4-10-19(17)21/h2-5,7-8,10-11,13-14,21-22H,6,9,12,15H2,1H3,(H,24,27)/t21-,22+/m1/s1
InChIKeyMGJLEVWPVUMGBF-YADHBBJMSA-N
MW360.46 g/mol
LogP4.14
Rot. Bonds3

About 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 9081455) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound Name2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
PubChem CID9081455
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C23H24N2O2/c1-16(26)25-14-13-18-8-3-5-11-20(18)22(25)15-23(27)24-21-12-6-9-17-7-2-4-10-19(17)21/h2-5,7-8,10-11,13-14,21-22H,6,9,12,15H2,1H3,(H,24,27)/t21-,22+/m1/s1
InChIKeyMGJLEVWPVUMGBF-YADHBBJMSA-N
XLogP4.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(2-acetyl-1H-isoquinolin-1-yl)-N-(2-hydroxyethyl)acetamide
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2-(2-acetyl-1H-isoquinolin-1-yl)-N-pentan-3-ylacetamide
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2-(1-methylpiperidin-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
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2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(2-methylphenyl)acetamide
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2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(1-adamantyl)acetamide
CID 26687467
2-[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 9081455) is 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N[C@@H]1CCCc2ccccc21.
What is the InChIKey of 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is MGJLEVWPVUMGBF-YADHBBJMSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-16(26)25-14-13-18-8-3-5-11-20(18)22(25)15-23(27)24-21-12-6-9-17-7-2-4-10-19(17)21/h2-5,7-8,10-11,13-14,21-22H,6,9,12,15H2,1H3,(H,24,27)/t21-,22+/m1/s1.
What are the key properties of 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 360.46 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 9081455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).