methyl (Z)-2-ethyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]but-2-enoate

C16H19NO4 — CID 114939880

IUPACmethyl (Z)-2-ethyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]but-2-enoate
SMILESCC/C(=C/COc1ccc2c(c1)NC(=O)CC2)C(=O)OC
InChIInChI=1S/C16H19NO4/c1-3-11(16(19)20-2)8-9-21-13-6-4-12-5-7-15(18)17-14(12)10-13/h4,6,8,10H,3,5,7,9H2,1-2H3,(H,17,18)/b11-8-
InChIKeyGVFVWRKZWIGZIQ-FLIBITNWSA-N
MW289.33 g/mol
LogP2.46
Rot. Bonds5

About methyl (Z)-2-ethyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]but-2-enoate

methyl (Z)-2-ethyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]but-2-enoate (PubChem CID 114939880) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is methyl (Z)-2-ethyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]but-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-ethyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]but-2-enoate
PubChem CID114939880
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Namemethyl (Z)-2-ethyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]but-2-enoate
SMILESCC/C(=C/COc1ccc2c(c1)NC(=O)CC2)C(=O)OC
InChIInChI=1S/C16H19NO4/c1-3-11(16(19)20-2)8-9-21-13-6-4-12-5-7-15(18)17-14(12)10-13/h4,6,8,10H,3,5,7,9H2,1-2H3,(H,17,18)/b11-8-
InChIKeyGVFVWRKZWIGZIQ-FLIBITNWSA-N
XLogP2.46
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl (Z)-2-ethyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]but-2-enoate with MolForge

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Related Compounds

7-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one
CID 112704281
7-(4-methoxybutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 114940015
7-(4-chlorobut-2-enoxy)-3,4-dihydro-1H-quinolin-2-one
CID 66885925
N-(3-methylbutan-2-yl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]acetamide
CID 114940002
methyl (Z)-4-(4-bromo-3-methylphenoxy)-2-ethylbut-2-enoate
CID 83133070
methyl 4-(4-chloro-3-methylphenoxy)-2-ethylbut-2-enoate
CID 77100597
4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butanal
CID 56851120
7-(2-ethylsulfonylethoxy)-3,4-dihydro-1H-quinolin-2-one
CID 114940190
7-[(4-ethylphenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 114940161
7-(2,2-diethoxyethoxy)-3,4-dihydro-1H-quinolin-2-one
CID 114939923
hydrazinyl 3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]propanoate
CID 114939971
methyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate
CID 13109798

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-ethyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]but-2-enoate?
The IUPAC name of methyl (Z)-2-ethyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]but-2-enoate (CID 114939880) is methyl (Z)-2-ethyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]but-2-enoate.
What is the SMILES notation for methyl (Z)-2-ethyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]but-2-enoate?
The canonical SMILES for methyl (Z)-2-ethyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]but-2-enoate is CC/C(=C/COc1ccc2c(c1)NC(=O)CC2)C(=O)OC.
What is the InChIKey of methyl (Z)-2-ethyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]but-2-enoate?
The InChIKey is GVFVWRKZWIGZIQ-FLIBITNWSA-N. The full InChI is InChI=1S/C16H19NO4/c1-3-11(16(19)20-2)8-9-21-13-6-4-12-5-7-15(18)17-14(12)10-13/h4,6,8,10H,3,5,7,9H2,1-2H3,(H,17,18)/b11-8-.
What are the key properties of methyl (Z)-2-ethyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]but-2-enoate?
methyl (Z)-2-ethyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]but-2-enoate has a molecular weight of 289.33 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-ethyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]but-2-enoate is sourced from PubChem (CID 114939880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).