6-[2-(2-ethoxyprop-2-enylsulfanyl)ethenyl]-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one

C23H25NO4S — CID 146306302

IUPAC6-[2-(2-ethoxyprop-2-enylsulfanyl)ethenyl]-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one
SMILESC=C(CSC=Cc1ccc2c(c1)C(O)(c1ccccc1)C(OC)C(=O)N2)OCC
InChIInChI=1S/C23H25NO4S/c1-4-28-16(2)15-29-13-12-17-10-11-20-19(14-17)23(26,18-8-6-5-7-9-18)21(27-3)22(25)24-20/h5-14,21,26H,2,4,15H2,1,3H3,(H,24,25)
InChIKeyKVMUZCXIYOMTFP-UHFFFAOYSA-N
MW411.52 g/mol
LogP4.14
Rot. Bonds8

About 6-[2-(2-ethoxyprop-2-enylsulfanyl)ethenyl]-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one

6-[2-(2-ethoxyprop-2-enylsulfanyl)ethenyl]-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one (PubChem CID 146306302) has the molecular formula C23H25NO4S and a molecular weight of 411.52 g/mol. Its IUPAC name is 6-[2-(2-ethoxyprop-2-enylsulfanyl)ethenyl]-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-[2-(2-ethoxyprop-2-enylsulfanyl)ethenyl]-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one
PubChem CID146306302
Molecular FormulaC23H25NO4S
Molecular Weight411.52 g/mol
Exact Mass411.15
IUPAC Name6-[2-(2-ethoxyprop-2-enylsulfanyl)ethenyl]-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one
SMILESC=C(CSC=Cc1ccc2c(c1)C(O)(c1ccccc1)C(OC)C(=O)N2)OCC
InChIInChI=1S/C23H25NO4S/c1-4-28-16(2)15-29-13-12-17-10-11-20-19(14-17)23(26,18-8-6-5-7-9-18)21(27-3)22(25)24-20/h5-14,21,26H,2,4,15H2,1,3H3,(H,24,25)
InChIKeyKVMUZCXIYOMTFP-UHFFFAOYSA-N
XLogP4.14
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.52
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 6-[2-(2-ethoxyprop-2-enylsulfanyl)ethenyl]-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-ethoxyprop-2-enylsulfanyl)ethenyl]-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one?
The IUPAC name of 6-[2-(2-ethoxyprop-2-enylsulfanyl)ethenyl]-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one (CID 146306302) is 6-[2-(2-ethoxyprop-2-enylsulfanyl)ethenyl]-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one.
What is the SMILES notation for 6-[2-(2-ethoxyprop-2-enylsulfanyl)ethenyl]-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one?
The canonical SMILES for 6-[2-(2-ethoxyprop-2-enylsulfanyl)ethenyl]-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one is C=C(CSC=Cc1ccc2c(c1)C(O)(c1ccccc1)C(OC)C(=O)N2)OCC.
What is the InChIKey of 6-[2-(2-ethoxyprop-2-enylsulfanyl)ethenyl]-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one?
The InChIKey is KVMUZCXIYOMTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO4S/c1-4-28-16(2)15-29-13-12-17-10-11-20-19(14-17)23(26,18-8-6-5-7-9-18)21(27-3)22(25)24-20/h5-14,21,26H,2,4,15H2,1,3H3,(H,24,25).
What are the key properties of 6-[2-(2-ethoxyprop-2-enylsulfanyl)ethenyl]-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one?
6-[2-(2-ethoxyprop-2-enylsulfanyl)ethenyl]-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one has a molecular weight of 411.52 g/mol, XLogP of 4.14, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-ethoxyprop-2-enylsulfanyl)ethenyl]-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one is sourced from PubChem (CID 146306302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).