ethyl 3-methyl-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanoate

C16H19NO4 — CID 20563580

IUPACethyl 3-methyl-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanoate
SMILESCCOC(=O)CC(C)COc1ccc2[nH]c(=O)ccc2c1
InChIInChI=1S/C16H19NO4/c1-3-20-16(19)8-11(2)10-21-13-5-6-14-12(9-13)4-7-15(18)17-14/h4-7,9,11H,3,8,10H2,1-2H3,(H,17,18)
InChIKeyMVUIGVBMKMEMIP-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.50
Rot. Bonds6

About ethyl 3-methyl-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanoate

ethyl 3-methyl-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanoate (PubChem CID 20563580) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is ethyl 3-methyl-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanoate.

Molecular Properties

Compound Nameethyl 3-methyl-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanoate
PubChem CID20563580
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Nameethyl 3-methyl-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanoate
SMILESCCOC(=O)CC(C)COc1ccc2[nH]c(=O)ccc2c1
InChIInChI=1S/C16H19NO4/c1-3-20-16(19)8-11(2)10-21-13-5-6-14-12(9-13)4-7-15(18)17-14/h4-7,9,11H,3,8,10H2,1-2H3,(H,17,18)
InChIKeyMVUIGVBMKMEMIP-UHFFFAOYSA-N
XLogP2.50
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanoate?
The IUPAC name of ethyl 3-methyl-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanoate (CID 20563580) is ethyl 3-methyl-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanoate.
What is the SMILES notation for ethyl 3-methyl-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanoate?
The canonical SMILES for ethyl 3-methyl-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanoate is CCOC(=O)CC(C)COc1ccc2[nH]c(=O)ccc2c1.
What is the InChIKey of ethyl 3-methyl-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanoate?
The InChIKey is MVUIGVBMKMEMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-3-20-16(19)8-11(2)10-21-13-5-6-14-12(9-13)4-7-15(18)17-14/h4-7,9,11H,3,8,10H2,1-2H3,(H,17,18).
What are the key properties of ethyl 3-methyl-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanoate?
ethyl 3-methyl-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanoate has a molecular weight of 289.33 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanoate is sourced from PubChem (CID 20563580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).