1-ethyl-4-hydroxy-3-[(E)-3-thiophen-2-ylprop-2-enoyl]quinolin-2-one

C18H15NO3S — CID 54698794

IUPAC1-ethyl-4-hydroxy-3-[(E)-3-thiophen-2-ylprop-2-enoyl]quinolin-2-one
SMILESCCn1c(=O)c(C(=O)/C=C/c2cccs2)c(O)c2ccccc21
InChIInChI=1S/C18H15NO3S/c1-2-19-14-8-4-3-7-13(14)17(21)16(18(19)22)15(20)10-9-12-6-5-11-23-12/h3-11,21H,2H2,1H3/b10-9+
InChIKeyFGGMLTGIOZBFPA-MDZDMXLPSA-N
MW325.39 g/mol
LogP3.68
Rot. Bonds4

About 1-ethyl-4-hydroxy-3-[(E)-3-thiophen-2-ylprop-2-enoyl]quinolin-2-one

1-ethyl-4-hydroxy-3-[(E)-3-thiophen-2-ylprop-2-enoyl]quinolin-2-one (PubChem CID 54698794) has the molecular formula C18H15NO3S and a molecular weight of 325.39 g/mol. Its IUPAC name is 1-ethyl-4-hydroxy-3-[(E)-3-thiophen-2-ylprop-2-enoyl]quinolin-2-one.

Molecular Properties

Compound Name1-ethyl-4-hydroxy-3-[(E)-3-thiophen-2-ylprop-2-enoyl]quinolin-2-one
PubChem CID54698794
Molecular FormulaC18H15NO3S
Molecular Weight325.39 g/mol
Exact Mass325.08
IUPAC Name1-ethyl-4-hydroxy-3-[(E)-3-thiophen-2-ylprop-2-enoyl]quinolin-2-one
SMILESCCn1c(=O)c(C(=O)/C=C/c2cccs2)c(O)c2ccccc21
InChIInChI=1S/C18H15NO3S/c1-2-19-14-8-4-3-7-13(14)17(21)16(18(19)22)15(20)10-9-12-6-5-11-23-12/h3-11,21H,2H2,1H3/b10-9+
InChIKeyFGGMLTGIOZBFPA-MDZDMXLPSA-N
XLogP3.68
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(N-methylthiophene-2-amido)benzoic acid
CID 750789
4-hydroxy-1-methyl-3-(phenylsulfanyl)-2(1H)-quinolinone
CID 54677757
4-Benzyl-N-butyl-7-hydroxy-5-oxo-4H,5H-thieno[3,2-B]pyridine-6-carboxamide
CID 54734557
4-hydroxy-1-methyl-3-[(4-methylphenyl)sulfanyl]-2(1H)-quinolinone
CID 54710218
N-ethyl-4-hydroxy-1-methyl-5-methylsulfanyl-2-oxo-N-phenylquinoline-3-carboxamide
CID 54708534
4-hydroxy-N,1-dimethyl-5-methylsulfanyl-2-oxo-N-phenylquinoline-3-carboxamide
CID 54720163
N-ethyl-4-hydroxy-1-methyl-6-methylsulfanyl-2-oxo-N-phenylquinoline-3-carboxamide
CID 54721948
3G8Naj264J
CID 54729748
6-ethylsulfanyl-4-hydroxy-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide
CID 54732564
1-ethyl-4-hydroxy-N-methyl-6-methylsulfanyl-2-oxo-N-phenylquinoline-3-carboxamide
CID 54732760
N-cyclohexyl-4-hydroxy-N,1-dimethyl-6-methylsulfanyl-2-oxoquinoline-3-carboxamide
CID 54732781
4-hydroxy-1-methyl-6-methylsulfanyl-N-(2-methylsulfanylethyl)-2-oxo-N-phenylquinoline-3-carboxamide
CID 54737143

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-hydroxy-3-[(E)-3-thiophen-2-ylprop-2-enoyl]quinolin-2-one?
The IUPAC name of 1-ethyl-4-hydroxy-3-[(E)-3-thiophen-2-ylprop-2-enoyl]quinolin-2-one (CID 54698794) is 1-ethyl-4-hydroxy-3-[(E)-3-thiophen-2-ylprop-2-enoyl]quinolin-2-one.
What is the SMILES notation for 1-ethyl-4-hydroxy-3-[(E)-3-thiophen-2-ylprop-2-enoyl]quinolin-2-one?
The canonical SMILES for 1-ethyl-4-hydroxy-3-[(E)-3-thiophen-2-ylprop-2-enoyl]quinolin-2-one is CCn1c(=O)c(C(=O)/C=C/c2cccs2)c(O)c2ccccc21.
What is the InChIKey of 1-ethyl-4-hydroxy-3-[(E)-3-thiophen-2-ylprop-2-enoyl]quinolin-2-one?
The InChIKey is FGGMLTGIOZBFPA-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H15NO3S/c1-2-19-14-8-4-3-7-13(14)17(21)16(18(19)22)15(20)10-9-12-6-5-11-23-12/h3-11,21H,2H2,1H3/b10-9+.
What are the key properties of 1-ethyl-4-hydroxy-3-[(E)-3-thiophen-2-ylprop-2-enoyl]quinolin-2-one?
1-ethyl-4-hydroxy-3-[(E)-3-thiophen-2-ylprop-2-enoyl]quinolin-2-one has a molecular weight of 325.39 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-hydroxy-3-[(E)-3-thiophen-2-ylprop-2-enoyl]quinolin-2-one is sourced from PubChem (CID 54698794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).