7-ethoxy-6-methoxy-1-prop-2-enyl-2-thiophen-2-ylquinolin-4-one

C19H19NO3S — CID 15675293

IUPAC7-ethoxy-6-methoxy-1-prop-2-enyl-2-thiophen-2-ylquinolin-4-one
SMILESC=CCn1c(-c2cccs2)cc(=O)c2cc(OC)c(OCC)cc21
InChIInChI=1S/C19H19NO3S/c1-4-8-20-14-12-18(23-5-2)17(22-3)10-13(14)16(21)11-15(20)19-7-6-9-24-19/h4,6-7,9-12H,1,5,8H2,2-3H3
InChIKeyADZTZPCOCFGVAY-UHFFFAOYSA-N
MW341.43 g/mol
LogP4.32
Rot. Bonds6

About 7-ethoxy-6-methoxy-1-prop-2-enyl-2-thiophen-2-ylquinolin-4-one

7-ethoxy-6-methoxy-1-prop-2-enyl-2-thiophen-2-ylquinolin-4-one (PubChem CID 15675293) has the molecular formula C19H19NO3S and a molecular weight of 341.43 g/mol. Its IUPAC name is 7-ethoxy-6-methoxy-1-prop-2-enyl-2-thiophen-2-ylquinolin-4-one.

Molecular Properties

Compound Name7-ethoxy-6-methoxy-1-prop-2-enyl-2-thiophen-2-ylquinolin-4-one
PubChem CID15675293
Molecular FormulaC19H19NO3S
Molecular Weight341.43 g/mol
Exact Mass341.11
IUPAC Name7-ethoxy-6-methoxy-1-prop-2-enyl-2-thiophen-2-ylquinolin-4-one
SMILESC=CCn1c(-c2cccs2)cc(=O)c2cc(OC)c(OCC)cc21
InChIInChI=1S/C19H19NO3S/c1-4-8-20-14-12-18(23-5-2)17(22-3)10-13(14)16(21)11-15(20)19-7-6-9-24-19/h4,6-7,9-12H,1,5,8H2,2-3H3
InChIKeyADZTZPCOCFGVAY-UHFFFAOYSA-N
XLogP4.32
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-6-methoxy-1-prop-2-enyl-2-thiophen-2-ylquinolin-4-one?
The IUPAC name of 7-ethoxy-6-methoxy-1-prop-2-enyl-2-thiophen-2-ylquinolin-4-one (CID 15675293) is 7-ethoxy-6-methoxy-1-prop-2-enyl-2-thiophen-2-ylquinolin-4-one.
What is the SMILES notation for 7-ethoxy-6-methoxy-1-prop-2-enyl-2-thiophen-2-ylquinolin-4-one?
The canonical SMILES for 7-ethoxy-6-methoxy-1-prop-2-enyl-2-thiophen-2-ylquinolin-4-one is C=CCn1c(-c2cccs2)cc(=O)c2cc(OC)c(OCC)cc21.
What is the InChIKey of 7-ethoxy-6-methoxy-1-prop-2-enyl-2-thiophen-2-ylquinolin-4-one?
The InChIKey is ADZTZPCOCFGVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3S/c1-4-8-20-14-12-18(23-5-2)17(22-3)10-13(14)16(21)11-15(20)19-7-6-9-24-19/h4,6-7,9-12H,1,5,8H2,2-3H3.
What are the key properties of 7-ethoxy-6-methoxy-1-prop-2-enyl-2-thiophen-2-ylquinolin-4-one?
7-ethoxy-6-methoxy-1-prop-2-enyl-2-thiophen-2-ylquinolin-4-one has a molecular weight of 341.43 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-6-methoxy-1-prop-2-enyl-2-thiophen-2-ylquinolin-4-one is sourced from PubChem (CID 15675293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).