N-(4-fluorophenyl)-2-[(5E)-5-[(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide

C26H28FN3O4S — CID 50859975

IUPACN-(4-fluorophenyl)-2-[(5E)-5-[(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
SMILESCOc1cc2c(cc1/C=C1/SC(=O)N(CC(=O)Nc3ccc(F)cc3)C1=O)C(C)CC(C)(C)N2C
InChIInChI=1S/C26H28FN3O4S/c1-15-13-26(2,3)29(4)20-12-21(34-5)16(10-19(15)20)11-22-24(32)30(25(33)35-22)14-23(31)28-18-8-6-17(27)7-9-18/h6-12,15H,13-14H2,1-5H3,(H,28,31)/b22-11+
InChIKeyYNSJGCAQVSPMAH-SSDVNMTOSA-N
MW497.59 g/mol
LogP5.23
Rot. Bonds5

About N-(4-fluorophenyl)-2-[(5E)-5-[(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide

N-(4-fluorophenyl)-2-[(5E)-5-[(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide (PubChem CID 50859975) has the molecular formula C26H28FN3O4S and a molecular weight of 497.59 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[(5E)-5-[(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[(5E)-5-[(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
PubChem CID50859975
Molecular FormulaC26H28FN3O4S
Molecular Weight497.59 g/mol
Exact Mass497.18
IUPAC NameN-(4-fluorophenyl)-2-[(5E)-5-[(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
SMILESCOc1cc2c(cc1/C=C1/SC(=O)N(CC(=O)Nc3ccc(F)cc3)C1=O)C(C)CC(C)(C)N2C
InChIInChI=1S/C26H28FN3O4S/c1-15-13-26(2,3)29(4)20-12-21(34-5)16(10-19(15)20)11-22-24(32)30(25(33)35-22)14-23(31)28-18-8-6-17(27)7-9-18/h6-12,15H,13-14H2,1-5H3,(H,28,31)/b22-11+
InChIKeyYNSJGCAQVSPMAH-SSDVNMTOSA-N
XLogP5.23
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.59
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze N-(4-fluorophenyl)-2-[(5E)-5-[(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide 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 N-(4-fluorophenyl)-2-[(5E)-5-[(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[(5E)-5-[(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide (CID 50859975) is N-(4-fluorophenyl)-2-[(5E)-5-[(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[(5E)-5-[(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[(5E)-5-[(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide is COc1cc2c(cc1/C=C1/SC(=O)N(CC(=O)Nc3ccc(F)cc3)C1=O)C(C)CC(C)(C)N2C.
What is the InChIKey of N-(4-fluorophenyl)-2-[(5E)-5-[(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide?
The InChIKey is YNSJGCAQVSPMAH-SSDVNMTOSA-N. The full InChI is InChI=1S/C26H28FN3O4S/c1-15-13-26(2,3)29(4)20-12-21(34-5)16(10-19(15)20)11-22-24(32)30(25(33)35-22)14-23(31)28-18-8-6-17(27)7-9-18/h6-12,15H,13-14H2,1-5H3,(H,28,31)/b22-11+.
What are the key properties of N-(4-fluorophenyl)-2-[(5E)-5-[(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide?
N-(4-fluorophenyl)-2-[(5E)-5-[(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide has a molecular weight of 497.59 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[(5E)-5-[(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide is sourced from PubChem (CID 50859975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).