N-isoquinolin-5-ylacetamide

C11H10N2O — CID 3748198

IUPACN-isoquinolin-5-ylacetamide
SMILESCC(=O)Nc1cccc2cnccc12
InChIInChI=1S/C11H10N2O/c1-8(14)13-11-4-2-3-9-7-12-6-5-10(9)11/h2-7H,1H3,(H,13,14)
InChIKeyFZICVXWYDXOFAW-UHFFFAOYSA-N
MW186.21 g/mol
LogP2.19
Rot. Bonds1

About N-isoquinolin-5-ylacetamide

N-isoquinolin-5-ylacetamide (PubChem CID 3748198) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is N-isoquinolin-5-ylacetamide.

Molecular Properties

Compound NameN-isoquinolin-5-ylacetamide
PubChem CID3748198
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC NameN-isoquinolin-5-ylacetamide
SMILESCC(=O)Nc1cccc2cnccc12
InChIInChI=1S/C11H10N2O/c1-8(14)13-11-4-2-3-9-7-12-6-5-10(9)11/h2-7H,1H3,(H,13,14)
InChIKeyFZICVXWYDXOFAW-UHFFFAOYSA-N
XLogP2.19
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-isoquinolin-5-ylacetamide?
The IUPAC name of N-isoquinolin-5-ylacetamide (CID 3748198) is N-isoquinolin-5-ylacetamide.
What is the SMILES notation for N-isoquinolin-5-ylacetamide?
The canonical SMILES for N-isoquinolin-5-ylacetamide is CC(=O)Nc1cccc2cnccc12.
What is the InChIKey of N-isoquinolin-5-ylacetamide?
The InChIKey is FZICVXWYDXOFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c1-8(14)13-11-4-2-3-9-7-12-6-5-10(9)11/h2-7H,1H3,(H,13,14).
What are the key properties of N-isoquinolin-5-ylacetamide?
N-isoquinolin-5-ylacetamide has a molecular weight of 186.21 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-isoquinolin-5-ylacetamide is sourced from PubChem (CID 3748198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).