2-ethoxy-N-isoquinolin-5-ylacetamide

C13H14N2O2 — CID 60719162

IUPAC2-ethoxy-N-isoquinolin-5-ylacetamide
SMILESCCOCC(=O)Nc1cccc2cnccc12
InChIInChI=1S/C13H14N2O2/c1-2-17-9-13(16)15-12-5-3-4-10-8-14-7-6-11(10)12/h3-8H,2,9H2,1H3,(H,15,16)
InChIKeyIHCHSKPNFZRCCX-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.21
Rot. Bonds4

About 2-ethoxy-N-isoquinolin-5-ylacetamide

2-ethoxy-N-isoquinolin-5-ylacetamide (PubChem CID 60719162) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-ethoxy-N-isoquinolin-5-ylacetamide.

Molecular Properties

Compound Name2-ethoxy-N-isoquinolin-5-ylacetamide
PubChem CID60719162
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name2-ethoxy-N-isoquinolin-5-ylacetamide
SMILESCCOCC(=O)Nc1cccc2cnccc12
InChIInChI=1S/C13H14N2O2/c1-2-17-9-13(16)15-12-5-3-4-10-8-14-7-6-11(10)12/h3-8H,2,9H2,1H3,(H,15,16)
InChIKeyIHCHSKPNFZRCCX-UHFFFAOYSA-N
XLogP2.21
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(ethylamino)-N-isoquinolin-5-ylpropanamide
CID 62831440
N-isoquinolin-5-yl-3,3-dimethylbutanamide
CID 29371824
N-isoquinolin-5-yl-3-sulfanylpropanamide
CID 107023450
N-isoquinolin-8-yl-2-(2-methoxyethoxy)acetamide
CID 103747528
2-(2,5-dimethylphenoxy)-N-isoquinolin-5-ylacetamide
CID 8763215
N-isoquinolin-5-yl-2-(propan-2-ylamino)acetamide
CID 54924139
2-(4-chlorophenyl)-N-isoquinolin-5-ylacetamide
CID 8763151
2-amino-N-[2-(isoquinolin-5-ylamino)-2-oxoethyl]acetamide
CID 54928661
2-anilino-N-isoquinolin-5-ylacetamide
CID 60860768
1-(3-ethoxypropyl)-3-isoquinolin-5-ylthiourea
CID 51558605
N-[2-(isoquinolin-5-ylamino)-2-oxoethyl]-4-methylbenzamide
CID 29372226
(2R)-2-amino-N-isoquinolin-5-ylpentanamide
CID 107568420

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-isoquinolin-5-ylacetamide?
The IUPAC name of 2-ethoxy-N-isoquinolin-5-ylacetamide (CID 60719162) is 2-ethoxy-N-isoquinolin-5-ylacetamide.
What is the SMILES notation for 2-ethoxy-N-isoquinolin-5-ylacetamide?
The canonical SMILES for 2-ethoxy-N-isoquinolin-5-ylacetamide is CCOCC(=O)Nc1cccc2cnccc12.
What is the InChIKey of 2-ethoxy-N-isoquinolin-5-ylacetamide?
The InChIKey is IHCHSKPNFZRCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-2-17-9-13(16)15-12-5-3-4-10-8-14-7-6-11(10)12/h3-8H,2,9H2,1H3,(H,15,16).
What are the key properties of 2-ethoxy-N-isoquinolin-5-ylacetamide?
2-ethoxy-N-isoquinolin-5-ylacetamide has a molecular weight of 230.27 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-isoquinolin-5-ylacetamide is sourced from PubChem (CID 60719162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).