2-(5-amino-1H-isoquinolin-2-yl)acetamide

C11H13N3O — CID 57298139

IUPAC2-(5-amino-1H-isoquinolin-2-yl)acetamide
SMILESNC(=O)CN1C=Cc2c(N)cccc2C1
InChIInChI=1S/C11H13N3O/c12-10-3-1-2-8-6-14(7-11(13)15)5-4-9(8)10/h1-5H,6-7,12H2,(H2,13,15)
InChIKeyMJJANICOSPQUKN-UHFFFAOYSA-N
MW203.25 g/mol
LogP0.54
Rot. Bonds2

About 2-(5-amino-1H-isoquinolin-2-yl)acetamide

2-(5-amino-1H-isoquinolin-2-yl)acetamide (PubChem CID 57298139) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 2-(5-amino-1H-isoquinolin-2-yl)acetamide.

Molecular Properties

Compound Name2-(5-amino-1H-isoquinolin-2-yl)acetamide
PubChem CID57298139
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name2-(5-amino-1H-isoquinolin-2-yl)acetamide
SMILESNC(=O)CN1C=Cc2c(N)cccc2C1
InChIInChI=1S/C11H13N3O/c12-10-3-1-2-8-6-14(7-11(13)15)5-4-9(8)10/h1-5H,6-7,12H2,(H2,13,15)
InChIKeyMJJANICOSPQUKN-UHFFFAOYSA-N
XLogP0.54
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(1H-isoquinolin-2-yl)acetamide
CID 22641902
2-[(4-fluorophenyl)methyl]-1H-isoquinolin-5-amine
CID 69301987
2-tert-butyl-1H-isoquinolin-5-amine
CID 169302651
2-propan-2-yl-1H-isoquinolin-5-amine
CID 170308696
2-(4-acetyl-1H-isoquinolin-2-yl)acetamide
CID 20802848
2-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)acetamide
CID 52862501
2-chloro-1H-isoquinolin-5-ol
CID 163359818
1H-inden-4-amine;methanamine
CID 174766313
2-(5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 110456723
2-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 25337551
2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 22200023
2-(2-aminophenyl)-1-(1,3-dihydroisoindol-2-yl)ethanone
CID 62204617

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1H-isoquinolin-2-yl)acetamide?
The IUPAC name of 2-(5-amino-1H-isoquinolin-2-yl)acetamide (CID 57298139) is 2-(5-amino-1H-isoquinolin-2-yl)acetamide.
What is the SMILES notation for 2-(5-amino-1H-isoquinolin-2-yl)acetamide?
The canonical SMILES for 2-(5-amino-1H-isoquinolin-2-yl)acetamide is NC(=O)CN1C=Cc2c(N)cccc2C1.
What is the InChIKey of 2-(5-amino-1H-isoquinolin-2-yl)acetamide?
The InChIKey is MJJANICOSPQUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c12-10-3-1-2-8-6-14(7-11(13)15)5-4-9(8)10/h1-5H,6-7,12H2,(H2,13,15).
What are the key properties of 2-(5-amino-1H-isoquinolin-2-yl)acetamide?
2-(5-amino-1H-isoquinolin-2-yl)acetamide has a molecular weight of 203.25 g/mol, XLogP of 0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1H-isoquinolin-2-yl)acetamide is sourced from PubChem (CID 57298139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).