ethyl 2-(8-ethoxy-2-methylquinolin-4-yl)oxyacetate

C16H19NO4 — CID 66487495

IUPACethyl 2-(8-ethoxy-2-methylquinolin-4-yl)oxyacetate
SMILESCCOC(=O)COc1cc(C)nc2c(OCC)cccc12
InChIInChI=1S/C16H19NO4/c1-4-19-13-8-6-7-12-14(9-11(3)17-16(12)13)21-10-15(18)20-5-2/h6-9H,4-5,10H2,1-3H3
InChIKeyGWXIAEKCEPDAJV-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.88
Rot. Bonds6

About ethyl 2-(8-ethoxy-2-methylquinolin-4-yl)oxyacetate

ethyl 2-(8-ethoxy-2-methylquinolin-4-yl)oxyacetate (PubChem CID 66487495) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is ethyl 2-(8-ethoxy-2-methylquinolin-4-yl)oxyacetate.

Molecular Properties

Compound Nameethyl 2-(8-ethoxy-2-methylquinolin-4-yl)oxyacetate
PubChem CID66487495
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Nameethyl 2-(8-ethoxy-2-methylquinolin-4-yl)oxyacetate
SMILESCCOC(=O)COc1cc(C)nc2c(OCC)cccc12
InChIInChI=1S/C16H19NO4/c1-4-19-13-8-6-7-12-14(9-11(3)17-16(12)13)21-10-15(18)20-5-2/h6-9H,4-5,10H2,1-3H3
InChIKeyGWXIAEKCEPDAJV-UHFFFAOYSA-N
XLogP2.88
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-ethoxy-2-methylquinoline-4-carboxamide
CID 82574053
methyl 2-(8-ethoxy-2-methylquinolin-4-yl)acetate
CID 82575172
8-ethoxy-N-hydroxy-2-methylquinoline-4-carboxamide
CID 82574485
1-(8-ethoxy-2-methylquinolin-4-yl)ethanamine
CID 82575817
ethyl 4,8-diethoxy-2-methylquinoline-6-carboxylate
CID 86685267
ethyl 2-(2-methyl-4-sulfanylphenoxy)acetate
CID 16641178
ethyl 2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]oxyacetate
CID 82108488
ethyl 2-[2-(1-aminopropyl)phenoxy]acetate
CID 60877898
2,3-bis(2-ethoxy-2-oxoethoxy)benzoic acid
CID 18471117
2-(2,8-dimethylquinolin-4-yl)oxy-N-(2-methoxyphenyl)acetamide
CID 100828863
propyl 2-(2-ethoxyphenoxy)acetate
CID 112724725
(2-ethoxy-2-oxoethyl) 2-(2-methylphenoxy)acetate
CID 177256243

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(8-ethoxy-2-methylquinolin-4-yl)oxyacetate?
The IUPAC name of ethyl 2-(8-ethoxy-2-methylquinolin-4-yl)oxyacetate (CID 66487495) is ethyl 2-(8-ethoxy-2-methylquinolin-4-yl)oxyacetate.
What is the SMILES notation for ethyl 2-(8-ethoxy-2-methylquinolin-4-yl)oxyacetate?
The canonical SMILES for ethyl 2-(8-ethoxy-2-methylquinolin-4-yl)oxyacetate is CCOC(=O)COc1cc(C)nc2c(OCC)cccc12.
What is the InChIKey of ethyl 2-(8-ethoxy-2-methylquinolin-4-yl)oxyacetate?
The InChIKey is GWXIAEKCEPDAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-4-19-13-8-6-7-12-14(9-11(3)17-16(12)13)21-10-15(18)20-5-2/h6-9H,4-5,10H2,1-3H3.
What are the key properties of ethyl 2-(8-ethoxy-2-methylquinolin-4-yl)oxyacetate?
ethyl 2-(8-ethoxy-2-methylquinolin-4-yl)oxyacetate has a molecular weight of 289.33 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(8-ethoxy-2-methylquinolin-4-yl)oxyacetate is sourced from PubChem (CID 66487495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).