ethyl 2-isoquinolin-6-yloxyacetate

C13H13NO3 — CID 138975938

IUPACethyl 2-isoquinolin-6-yloxyacetate
SMILESCCOC(=O)COc1ccc2cnccc2c1
InChIInChI=1S/C13H13NO3/c1-2-16-13(15)9-17-12-4-3-11-8-14-6-5-10(11)7-12/h3-8H,2,9H2,1H3
InChIKeyKDTLOLLRYNKXMH-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.18
Rot. Bonds4

About ethyl 2-isoquinolin-6-yloxyacetate

ethyl 2-isoquinolin-6-yloxyacetate (PubChem CID 138975938) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is ethyl 2-isoquinolin-6-yloxyacetate.

Molecular Properties

Compound Nameethyl 2-isoquinolin-6-yloxyacetate
PubChem CID138975938
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Nameethyl 2-isoquinolin-6-yloxyacetate
SMILESCCOC(=O)COc1ccc2cnccc2c1
InChIInChI=1S/C13H13NO3/c1-2-16-13(15)9-17-12-4-3-11-8-14-6-5-10(11)7-12/h3-8H,2,9H2,1H3
InChIKeyKDTLOLLRYNKXMH-UHFFFAOYSA-N
XLogP2.18
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-isoquinolin-6-ylacetate
CID 53408596
1-isoquinolin-7-yloxypropan-2-one
CID 82580297
ethyl 4-isoquinolin-6-ylbut-3-enoate
CID 170796328
ethyl 2-[6-(1,3-oxazol-2-yl)naphthalen-2-yl]oxyacetate
CID 10447326
ethyl 2-(isoquinolin-6-ylmethylamino)acetate
CID 107038009
ethyl N-isoquinolin-6-ylcarbamate
CID 22674074
ethyl 2-(6-chlorosulfonylnaphthalen-2-yl)oxyacetate
CID 25158140
ethyl 2-[6-(cyanomethyl)naphthalen-2-yl]oxyacetate
CID 170886250
ethyl 2-[3,5-bis(2-ethoxy-2-oxoethoxy)phenoxy]acetate
CID 71361550
2-isoquinolin-6-yloxypropanoic acid
CID 82580346
ethyl 2-(4-amino-3-methylphenoxy)acetate;hydrochloride
CID 70346506
ethyl 2-(2-oxochromen-7-yl)oxyacetate;hydrochloride
CID 88715232

Frequently Asked Questions

What is the IUPAC name of ethyl 2-isoquinolin-6-yloxyacetate?
The IUPAC name of ethyl 2-isoquinolin-6-yloxyacetate (CID 138975938) is ethyl 2-isoquinolin-6-yloxyacetate.
What is the SMILES notation for ethyl 2-isoquinolin-6-yloxyacetate?
The canonical SMILES for ethyl 2-isoquinolin-6-yloxyacetate is CCOC(=O)COc1ccc2cnccc2c1.
What is the InChIKey of ethyl 2-isoquinolin-6-yloxyacetate?
The InChIKey is KDTLOLLRYNKXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-2-16-13(15)9-17-12-4-3-11-8-14-6-5-10(11)7-12/h3-8H,2,9H2,1H3.
What are the key properties of ethyl 2-isoquinolin-6-yloxyacetate?
ethyl 2-isoquinolin-6-yloxyacetate has a molecular weight of 231.25 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-isoquinolin-6-yloxyacetate is sourced from PubChem (CID 138975938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).