2-isoquinolin-5-yloxy-N-(2-oxoethyl)acetamide

C13H12N2O3 — CID 143072918

IUPAC2-isoquinolin-5-yloxy-N-(2-oxoethyl)acetamide
SMILESO=CCNC(=O)COc1cccc2cnccc12
InChIInChI=1S/C13H12N2O3/c16-7-6-15-13(17)9-18-12-3-1-2-10-8-14-5-4-11(10)12/h1-5,7-8H,6,9H2,(H,15,17)
InChIKeyRXZJUOFCTRCFDN-UHFFFAOYSA-N
MW244.25 g/mol
LogP0.93
Rot. Bonds5

About 2-isoquinolin-5-yloxy-N-(2-oxoethyl)acetamide

2-isoquinolin-5-yloxy-N-(2-oxoethyl)acetamide (PubChem CID 143072918) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-isoquinolin-5-yloxy-N-(2-oxoethyl)acetamide.

Molecular Properties

Compound Name2-isoquinolin-5-yloxy-N-(2-oxoethyl)acetamide
PubChem CID143072918
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name2-isoquinolin-5-yloxy-N-(2-oxoethyl)acetamide
SMILESO=CCNC(=O)COc1cccc2cnccc12
InChIInChI=1S/C13H12N2O3/c16-7-6-15-13(17)9-18-12-3-1-2-10-8-14-5-4-11(10)12/h1-5,7-8H,6,9H2,(H,15,17)
InChIKeyRXZJUOFCTRCFDN-UHFFFAOYSA-N
XLogP0.93
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-isoquinolin-5-yloxyphenyl)-2-phenoxyacetamide
CID 11372136
2-(isoquinolin-5-yloxymethyl)-N-prop-2-enyl-1,3-oxazole-4-carboxamide
CID 42288089
ethane;1-(2-isoquinolin-5-yloxyethyl)-3-phenylurea;molecular hydrogen
CID 143030878
2-(2,5-dimethylphenoxy)-N-isoquinolin-5-ylacetamide
CID 8763215
methyl 3-(isoquinolin-5-yloxymethyl)benzoate
CID 86198965
3-(isoquinolin-5-yloxymethyl)benzoic acid
CID 12902801
(2S)-1-isoquinolin-5-yloxypropan-2-amine
CID 69075857
N-(4-fluorophenyl)-2-[(2-naphthalen-1-yloxyacetyl)amino]acetamide
CID 7851076
methyl 3-[(2-naphthalen-1-yloxyacetyl)amino]propanoate
CID 26635464
N-[3,4-dichloro-2-(isoquinolin-5-yloxymethyl)phenyl]acetamide
CID 86198865
N-[(6-cyclopropylpyrimidin-4-yl)methyl]-2-naphthalen-1-yloxyacetamide
CID 122263826
N'-acetyl-2-naphthalen-1-yloxyacetohydrazide
CID 922179

Frequently Asked Questions

What is the IUPAC name of 2-isoquinolin-5-yloxy-N-(2-oxoethyl)acetamide?
The IUPAC name of 2-isoquinolin-5-yloxy-N-(2-oxoethyl)acetamide (CID 143072918) is 2-isoquinolin-5-yloxy-N-(2-oxoethyl)acetamide.
What is the SMILES notation for 2-isoquinolin-5-yloxy-N-(2-oxoethyl)acetamide?
The canonical SMILES for 2-isoquinolin-5-yloxy-N-(2-oxoethyl)acetamide is O=CCNC(=O)COc1cccc2cnccc12.
What is the InChIKey of 2-isoquinolin-5-yloxy-N-(2-oxoethyl)acetamide?
The InChIKey is RXZJUOFCTRCFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c16-7-6-15-13(17)9-18-12-3-1-2-10-8-14-5-4-11(10)12/h1-5,7-8H,6,9H2,(H,15,17).
What are the key properties of 2-isoquinolin-5-yloxy-N-(2-oxoethyl)acetamide?
2-isoquinolin-5-yloxy-N-(2-oxoethyl)acetamide has a molecular weight of 244.25 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isoquinolin-5-yloxy-N-(2-oxoethyl)acetamide is sourced from PubChem (CID 143072918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).