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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[2-(4-methoxyphenyl)-2-oxoethoxy]-1H-quinolin-2-one
CID 121005750
6-[3-(N-ethylanilino)-2-hydroxypropoxy]-1H-quinolin-2-one
CID 15157779
CID 157177640
CID 157177640
7-ethoxy-1H-quinolin-2-one
CID 123474288
6-(2-chloroethoxy)-1H-quinolin-2-one
CID 20540025
6-[(2S)-3-[(3-ethoxyphenyl)methylamino]-2-hydroxypropoxy]-1H-quinolin-2-one;hydrochloride
CID 18647172
6-[3-[benzyl(ethyl)amino]-2-hydroxypropoxy]-1H-quinolin-2-one
CID 10316012
N-cyclopropyl-N-ethyl-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanamide
CID 13112648
ethyl 4-(3-amino-5-methoxyphenoxy)-3-methylbutanoate
CID 142476777
ethyl (3S)-3-(1H-indol-2-yl)butanoate
CID 98010811
6-(cyclopropylmethoxy)-1H-quinolin-2-one
CID 68861342
6-[2-hydroxy-3-[methyl(pyridin-2-yl)amino]propoxy]-1H-quinolin-2-one
CID 15157871

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).