N-(isoquinolin-1-ylmethyl)acetamide

C12H12N2O — CID 20717922

IUPACN-(isoquinolin-1-ylmethyl)acetamide
SMILESCC(=O)NCc1nccc2ccccc12
InChIInChI=1S/C12H12N2O/c1-9(15)14-8-12-11-5-3-2-4-10(11)6-7-13-12/h2-7H,8H2,1H3,(H,14,15)
InChIKeyHEGHXULVWLCZHL-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.87
Rot. Bonds2

About N-(isoquinolin-1-ylmethyl)acetamide

N-(isoquinolin-1-ylmethyl)acetamide (PubChem CID 20717922) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is N-(isoquinolin-1-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(isoquinolin-1-ylmethyl)acetamide
PubChem CID20717922
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC NameN-(isoquinolin-1-ylmethyl)acetamide
SMILESCC(=O)NCc1nccc2ccccc12
InChIInChI=1S/C12H12N2O/c1-9(15)14-8-12-11-5-3-2-4-10(11)6-7-13-12/h2-7H,8H2,1H3,(H,14,15)
InChIKeyHEGHXULVWLCZHL-UHFFFAOYSA-N
XLogP1.87
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(isoquinolin-1-ylmethyl)acetamide?
The IUPAC name of N-(isoquinolin-1-ylmethyl)acetamide (CID 20717922) is N-(isoquinolin-1-ylmethyl)acetamide.
What is the SMILES notation for N-(isoquinolin-1-ylmethyl)acetamide?
The canonical SMILES for N-(isoquinolin-1-ylmethyl)acetamide is CC(=O)NCc1nccc2ccccc12.
What is the InChIKey of N-(isoquinolin-1-ylmethyl)acetamide?
The InChIKey is HEGHXULVWLCZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-9(15)14-8-12-11-5-3-2-4-10(11)6-7-13-12/h2-7H,8H2,1H3,(H,14,15).
What are the key properties of N-(isoquinolin-1-ylmethyl)acetamide?
N-(isoquinolin-1-ylmethyl)acetamide has a molecular weight of 200.24 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(isoquinolin-1-ylmethyl)acetamide is sourced from PubChem (CID 20717922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).