8-methyl-3-(3-oxo-3-thiophen-2-ylprop-1-enyl)-1H-quinolin-2-one

C17H13NO2S — CID 2913982

IUPAC8-methyl-3-(3-oxo-3-thiophen-2-ylprop-1-enyl)-1H-quinolin-2-one
SMILESCc1cccc2cc(C=CC(=O)c3cccs3)c(=O)[nH]c12
InChIInChI=1S/C17H13NO2S/c1-11-4-2-5-12-10-13(17(20)18-16(11)12)7-8-14(19)15-6-3-9-21-15/h2-10H,1H3,(H,18,20)
InChIKeyHUNMYDFTYODYAC-UHFFFAOYSA-N
MW295.36 g/mol
LogP3.79
Rot. Bonds3

About 8-methyl-3-(3-oxo-3-thiophen-2-ylprop-1-enyl)-1H-quinolin-2-one

8-methyl-3-(3-oxo-3-thiophen-2-ylprop-1-enyl)-1H-quinolin-2-one (PubChem CID 2913982) has the molecular formula C17H13NO2S and a molecular weight of 295.36 g/mol. Its IUPAC name is 8-methyl-3-(3-oxo-3-thiophen-2-ylprop-1-enyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name8-methyl-3-(3-oxo-3-thiophen-2-ylprop-1-enyl)-1H-quinolin-2-one
PubChem CID2913982
Molecular FormulaC17H13NO2S
Molecular Weight295.36 g/mol
Exact Mass295.07
IUPAC Name8-methyl-3-(3-oxo-3-thiophen-2-ylprop-1-enyl)-1H-quinolin-2-one
SMILESCc1cccc2cc(C=CC(=O)c3cccs3)c(=O)[nH]c12
InChIInChI=1S/C17H13NO2S/c1-11-4-2-5-12-10-13(17(20)18-16(11)12)7-8-14(19)15-6-3-9-21-15/h2-10H,1H3,(H,18,20)
InChIKeyHUNMYDFTYODYAC-UHFFFAOYSA-N
XLogP3.79
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-(3-oxo-3-thiophen-2-ylprop-1-enyl)-1H-quinolin-2-one?
The IUPAC name of 8-methyl-3-(3-oxo-3-thiophen-2-ylprop-1-enyl)-1H-quinolin-2-one (CID 2913982) is 8-methyl-3-(3-oxo-3-thiophen-2-ylprop-1-enyl)-1H-quinolin-2-one.
What is the SMILES notation for 8-methyl-3-(3-oxo-3-thiophen-2-ylprop-1-enyl)-1H-quinolin-2-one?
The canonical SMILES for 8-methyl-3-(3-oxo-3-thiophen-2-ylprop-1-enyl)-1H-quinolin-2-one is Cc1cccc2cc(C=CC(=O)c3cccs3)c(=O)[nH]c12.
What is the InChIKey of 8-methyl-3-(3-oxo-3-thiophen-2-ylprop-1-enyl)-1H-quinolin-2-one?
The InChIKey is HUNMYDFTYODYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO2S/c1-11-4-2-5-12-10-13(17(20)18-16(11)12)7-8-14(19)15-6-3-9-21-15/h2-10H,1H3,(H,18,20).
What are the key properties of 8-methyl-3-(3-oxo-3-thiophen-2-ylprop-1-enyl)-1H-quinolin-2-one?
8-methyl-3-(3-oxo-3-thiophen-2-ylprop-1-enyl)-1H-quinolin-2-one has a molecular weight of 295.36 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-(3-oxo-3-thiophen-2-ylprop-1-enyl)-1H-quinolin-2-one is sourced from PubChem (CID 2913982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).