2-(1H-isoquinolin-2-yl)acetamide

C11H12N2O — CID 22641902

IUPAC2-(1H-isoquinolin-2-yl)acetamide
SMILESNC(=O)CN1C=Cc2ccccc2C1
InChIInChI=1S/C11H12N2O/c12-11(14)8-13-6-5-9-3-1-2-4-10(9)7-13/h1-6H,7-8H2,(H2,12,14)
InChIKeyOBJWBTCAMXIMMN-UHFFFAOYSA-N
MW188.23 g/mol
LogP0.96
Rot. Bonds2

About 2-(1H-isoquinolin-2-yl)acetamide

2-(1H-isoquinolin-2-yl)acetamide (PubChem CID 22641902) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-(1H-isoquinolin-2-yl)acetamide.

Molecular Properties

Compound Name2-(1H-isoquinolin-2-yl)acetamide
PubChem CID22641902
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name2-(1H-isoquinolin-2-yl)acetamide
SMILESNC(=O)CN1C=Cc2ccccc2C1
InChIInChI=1S/C11H12N2O/c12-11(14)8-13-6-5-9-3-1-2-4-10(9)7-13/h1-6H,7-8H2,(H2,12,14)
InChIKeyOBJWBTCAMXIMMN-UHFFFAOYSA-N
XLogP0.96
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-amino-1H-isoquinolin-2-yl)acetamide
CID 57298139
1-(4-bromophenyl)-2-(1H-isoquinolin-2-yl)ethanone
CID 71367028
1H-isoquinolin-2-yl carbamate
CID 151878845
1-(4-chlorophenyl)-3-(1H-isoquinolin-2-yl)propan-1-one
CID 173452235
2-tetradecyl-1H-isoquinoline
CID 67229467
2-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)acetamide
CID 52862501
7-(1H-isoquinolin-2-yl)heptanenitrile
CID 56622797
2-(4-acetyl-1H-isoquinolin-2-yl)acetamide
CID 20802848
2-[2-(1,3-dioxan-2-yl)ethyl]-1H-isoquinoline
CID 70405025
2-(4,4,4-trifluorobutyl)-1H-isoquinoline
CID 70405609
1H-isoquinolin-2-ylcarbamothioic S-acid
CID 90950749
3-ethyl-2-(1H-isoquinolin-2-yl)benzamide
CID 69135588

Frequently Asked Questions

What is the IUPAC name of 2-(1H-isoquinolin-2-yl)acetamide?
The IUPAC name of 2-(1H-isoquinolin-2-yl)acetamide (CID 22641902) is 2-(1H-isoquinolin-2-yl)acetamide.
What is the SMILES notation for 2-(1H-isoquinolin-2-yl)acetamide?
The canonical SMILES for 2-(1H-isoquinolin-2-yl)acetamide is NC(=O)CN1C=Cc2ccccc2C1.
What is the InChIKey of 2-(1H-isoquinolin-2-yl)acetamide?
The InChIKey is OBJWBTCAMXIMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c12-11(14)8-13-6-5-9-3-1-2-4-10(9)7-13/h1-6H,7-8H2,(H2,12,14).
What are the key properties of 2-(1H-isoquinolin-2-yl)acetamide?
2-(1H-isoquinolin-2-yl)acetamide has a molecular weight of 188.23 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-isoquinolin-2-yl)acetamide is sourced from PubChem (CID 22641902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).