(5E)-5-[[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione

C20H26N2O2S — CID 124649199

IUPAC(5E)-5-[[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione
SMILESCCN1c2cc(C)c(/C=C3/SC(=O)N(C)C3=O)cc2[C@H](C)CC1(C)C
InChIInChI=1S/C20H26N2O2S/c1-7-22-16-8-12(2)14(9-15(16)13(3)11-20(22,4)5)10-17-18(23)21(6)19(24)25-17/h8-10,13H,7,11H2,1-6H3/b17-10+/t13-/m1/s1
InChIKeyUZMDJXZPVZSMSW-VGSSETLESA-N
MW358.51 g/mol
LogP4.77
Rot. Bonds2

About (5E)-5-[[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione

(5E)-5-[[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione (PubChem CID 124649199) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is (5E)-5-[[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione
PubChem CID124649199
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC Name(5E)-5-[[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione
SMILESCCN1c2cc(C)c(/C=C3/SC(=O)N(C)C3=O)cc2[C@H](C)CC1(C)C
InChIInChI=1S/C20H26N2O2S/c1-7-22-16-8-12(2)14(9-15(16)13(3)11-20(22,4)5)10-17-18(23)21(6)19(24)25-17/h8-10,13H,7,11H2,1-6H3/b17-10+/t13-/m1/s1
InChIKeyUZMDJXZPVZSMSW-VGSSETLESA-N
XLogP4.77
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

(5Z)-5-[[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 124649289
(5Z)-3-ethyl-5-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 132654053
(5Z)-5-[[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]methylidene]-3-methyl-2-(4-morpholin-4-ylphenyl)imino-1,3-thiazolidin-4-one
CID 125043123
(5Z)-3-butan-2-yl-5-[(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 50862730
(5Z)-5-[[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 124649349
2-[(5Z)-5-[(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-fluorophenyl)acetamide
CID 132679329
(5Z)-5-[(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 50862557
(5Z)-5-[[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]methylidene]-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one
CID 137060747
(5E)-3-benzyl-5-[(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 50860777
(5E)-3-[(2-fluorophenyl)methyl]-5-[(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 50862733
(5E)-5-[(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione
CID 50862037
2-[(5E)-2,4-dioxo-5-[(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazolidin-3-yl]-N-(2-methylphenyl)acetamide
CID 50862769

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-5-[[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione (CID 124649199) is (5E)-5-[[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione is CCN1c2cc(C)c(/C=C3/SC(=O)N(C)C3=O)cc2[C@H](C)CC1(C)C.
What is the InChIKey of (5E)-5-[[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione?
The InChIKey is UZMDJXZPVZSMSW-VGSSETLESA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-7-22-16-8-12(2)14(9-15(16)13(3)11-20(22,4)5)10-17-18(23)21(6)19(24)25-17/h8-10,13H,7,11H2,1-6H3/b17-10+/t13-/m1/s1.
What are the key properties of (5E)-5-[[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione?
(5E)-5-[[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione has a molecular weight of 358.51 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 124649199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).