ethyl 2-[(5Z)-2,4-dioxo-5-[(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazolidin-3-yl]acetate

C23H30N2O4S — CID 50862218

IUPACethyl 2-[(5Z)-2,4-dioxo-5-[(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazolidin-3-yl]acetate
SMILESCCCN1c2ccc(/C=C3\SC(=O)N(CC(=O)OCC)C3=O)cc2C(C)CC1(C)C
InChIInChI=1S/C23H30N2O4S/c1-6-10-25-18-9-8-16(11-17(18)15(3)13-23(25,4)5)12-19-21(27)24(22(28)30-19)14-20(26)29-7-2/h8-9,11-12,15H,6-7,10,13-14H2,1-5H3/b19-12-
InChIKeyZQFSUWCCMHTOJN-UNOMPAQXSA-N
MW430.57 g/mol
LogP4.79
Rot. Bonds6

About ethyl 2-[(5Z)-2,4-dioxo-5-[(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazolidin-3-yl]acetate

ethyl 2-[(5Z)-2,4-dioxo-5-[(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazolidin-3-yl]acetate (PubChem CID 50862218) has the molecular formula C23H30N2O4S and a molecular weight of 430.57 g/mol. Its IUPAC name is ethyl 2-[(5Z)-2,4-dioxo-5-[(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazolidin-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(5Z)-2,4-dioxo-5-[(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazolidin-3-yl]acetate
PubChem CID50862218
Molecular FormulaC23H30N2O4S
Molecular Weight430.57 g/mol
Exact Mass430.19
IUPAC Nameethyl 2-[(5Z)-2,4-dioxo-5-[(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazolidin-3-yl]acetate
SMILESCCCN1c2ccc(/C=C3\SC(=O)N(CC(=O)OCC)C3=O)cc2C(C)CC1(C)C
InChIInChI=1S/C23H30N2O4S/c1-6-10-25-18-9-8-16(11-17(18)15(3)13-23(25,4)5)12-19-21(27)24(22(28)30-19)14-20(26)29-7-2/h8-9,11-12,15H,6-7,10,13-14H2,1-5H3/b19-12-
InChIKeyZQFSUWCCMHTOJN-UNOMPAQXSA-N
XLogP4.79
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 54.79
H-Bond Donors ≤ 50
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 ethyl 2-[(5Z)-2,4-dioxo-5-[(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazolidin-3-yl]acetate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 2-[(5Z)-2,4-dioxo-5-[(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazolidin-3-yl]acetate
CID 50858230
(5E)-3-[2-(4-methylphenoxy)ethyl]-5-[(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 50862236
(5E)-3-[(4-bromophenyl)methyl]-5-[(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 50862214
propan-2-yl 2-[(5E)-2,4-dioxo-5-[(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazolidin-3-yl]acetate
CID 132665042
(5Z)-3-butan-2-yl-5-[(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 50862226
(5E)-3-prop-2-enyl-2-sulfanylidene-5-[(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one
CID 50862307
(5E)-3-[(2-chloro-6-fluorophenyl)methyl]-5-[(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 50862213
(5Z)-5-[(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione
CID 132655638
(5Z)-5-[(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione
CID 132655312
N-(3,4-dimethylphenyl)-2-[(5Z)-2,4-dioxo-5-[[(4R)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylidene]-1,3-thiazolidin-3-yl]acetamide
CID 99885848
(5E)-3-benzyl-5-[(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 50860254
2-[(5E)-2,4-dioxo-5-[(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazolidin-3-yl]-N-(3-methylphenyl)acetamide
CID 50858507

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5Z)-2,4-dioxo-5-[(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazolidin-3-yl]acetate?
The IUPAC name of ethyl 2-[(5Z)-2,4-dioxo-5-[(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazolidin-3-yl]acetate (CID 50862218) is ethyl 2-[(5Z)-2,4-dioxo-5-[(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazolidin-3-yl]acetate.
What is the SMILES notation for ethyl 2-[(5Z)-2,4-dioxo-5-[(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazolidin-3-yl]acetate?
The canonical SMILES for ethyl 2-[(5Z)-2,4-dioxo-5-[(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazolidin-3-yl]acetate is CCCN1c2ccc(/C=C3\SC(=O)N(CC(=O)OCC)C3=O)cc2C(C)CC1(C)C.
What is the InChIKey of ethyl 2-[(5Z)-2,4-dioxo-5-[(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazolidin-3-yl]acetate?
The InChIKey is ZQFSUWCCMHTOJN-UNOMPAQXSA-N. The full InChI is InChI=1S/C23H30N2O4S/c1-6-10-25-18-9-8-16(11-17(18)15(3)13-23(25,4)5)12-19-21(27)24(22(28)30-19)14-20(26)29-7-2/h8-9,11-12,15H,6-7,10,13-14H2,1-5H3/b19-12-.
What are the key properties of ethyl 2-[(5Z)-2,4-dioxo-5-[(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazolidin-3-yl]acetate?
ethyl 2-[(5Z)-2,4-dioxo-5-[(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazolidin-3-yl]acetate has a molecular weight of 430.57 g/mol, XLogP of 4.79, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5Z)-2,4-dioxo-5-[(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazolidin-3-yl]acetate is sourced from PubChem (CID 50862218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).