5-[[4-(ethylamino)-3-(1-ethyl-4,4,6-trimethyl-2-oxo-3H-quinolin-7-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione

C26H29N3O3S — CID 87888446

IUPAC5-[[4-(ethylamino)-3-(1-ethyl-4,4,6-trimethyl-2-oxo-3H-quinolin-7-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCCNc1ccc(C=C2SC(=O)NC2=O)cc1-c1cc2c(cc1C)C(C)(C)CC(=O)N2CC
InChIInChI=1S/C26H29N3O3S/c1-6-27-20-9-8-16(12-22-24(31)28-25(32)33-22)11-18(20)17-13-21-19(10-15(17)3)26(4,5)14-23(30)29(21)7-2/h8-13,27H,6-7,14H2,1-5H3,(H,28,31,32)
InChIKeyFQHFXXCZTRYANX-UHFFFAOYSA-N
MW463.60 g/mol
LogP5.45
Rot. Bonds5

About 5-[[4-(ethylamino)-3-(1-ethyl-4,4,6-trimethyl-2-oxo-3H-quinolin-7-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione

5-[[4-(ethylamino)-3-(1-ethyl-4,4,6-trimethyl-2-oxo-3H-quinolin-7-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 87888446) has the molecular formula C26H29N3O3S and a molecular weight of 463.60 g/mol. Its IUPAC name is 5-[[4-(ethylamino)-3-(1-ethyl-4,4,6-trimethyl-2-oxo-3H-quinolin-7-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-(ethylamino)-3-(1-ethyl-4,4,6-trimethyl-2-oxo-3H-quinolin-7-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID87888446
Molecular FormulaC26H29N3O3S
Molecular Weight463.60 g/mol
Exact Mass463.19
IUPAC Name5-[[4-(ethylamino)-3-(1-ethyl-4,4,6-trimethyl-2-oxo-3H-quinolin-7-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCCNc1ccc(C=C2SC(=O)NC2=O)cc1-c1cc2c(cc1C)C(C)(C)CC(=O)N2CC
InChIInChI=1S/C26H29N3O3S/c1-6-27-20-9-8-16(12-22-24(31)28-25(32)33-22)11-18(20)17-13-21-19(10-15(17)3)26(4,5)14-23(30)29(21)7-2/h8-13,27H,6-7,14H2,1-5H3,(H,28,31,32)
InChIKeyFQHFXXCZTRYANX-UHFFFAOYSA-N
XLogP5.45
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.60
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze 5-[[4-(ethylamino)-3-(1-ethyl-4,4,6-trimethyl-2-oxo-3H-quinolin-7-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione with MolForge

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Related Compounds

(5E)-5-[[4-(dimethylamino)-3-(1-ethyl-4,4,6-trimethyl-2-oxo-3H-quinolin-7-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 87891091
(5Z)-5-[[4-(dimethylamino)-3-(1,4,4,6-tetramethyl-2-oxo-3H-quinolin-7-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 10310488
5-[[3-(1,4,4,6-tetramethyl-2-oxo-3H-quinolin-7-yl)-4-(trifluoromethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 86590247
(5Z)-5-[[3-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-4-methylphenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 23560011
5-[[4-amino-3-(ethylamino)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 71378271
5-[[3-(1-benzyl-3,3,5-trimethyl-2-oxoindol-6-yl)-4-(trifluoromethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 85330283
ethyl (E)-3-[3-(1-ethyl-4,4,6-trimethyl-2-oxo-3H-quinolin-7-yl)-4-methoxyphenyl]prop-2-enoate
CID 68666786
(5E)-5-[[3-fluoro-4-hydroxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 87843043
(5E)-5-[[4-(dimethylamino)-3-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 87929132
(5Z)-5-[[3,4-dimethoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 22268310
5-[[3-methyl-4-[5,5,8,8-tetramethyl-3-(trifluoromethyl)-6,7-dihydronaphthalen-2-yl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 85051232
5-[[3-(8-methoxyimino-3,5,5-trimethyl-6,7-dihydronaphthalen-2-yl)-4-(trifluoromethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 85075591

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(ethylamino)-3-(1-ethyl-4,4,6-trimethyl-2-oxo-3H-quinolin-7-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[[4-(ethylamino)-3-(1-ethyl-4,4,6-trimethyl-2-oxo-3H-quinolin-7-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione (CID 87888446) is 5-[[4-(ethylamino)-3-(1-ethyl-4,4,6-trimethyl-2-oxo-3H-quinolin-7-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[[4-(ethylamino)-3-(1-ethyl-4,4,6-trimethyl-2-oxo-3H-quinolin-7-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[[4-(ethylamino)-3-(1-ethyl-4,4,6-trimethyl-2-oxo-3H-quinolin-7-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione is CCNc1ccc(C=C2SC(=O)NC2=O)cc1-c1cc2c(cc1C)C(C)(C)CC(=O)N2CC.
What is the InChIKey of 5-[[4-(ethylamino)-3-(1-ethyl-4,4,6-trimethyl-2-oxo-3H-quinolin-7-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is FQHFXXCZTRYANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3S/c1-6-27-20-9-8-16(12-22-24(31)28-25(32)33-22)11-18(20)17-13-21-19(10-15(17)3)26(4,5)14-23(30)29(21)7-2/h8-13,27H,6-7,14H2,1-5H3,(H,28,31,32).
What are the key properties of 5-[[4-(ethylamino)-3-(1-ethyl-4,4,6-trimethyl-2-oxo-3H-quinolin-7-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
5-[[4-(ethylamino)-3-(1-ethyl-4,4,6-trimethyl-2-oxo-3H-quinolin-7-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 463.60 g/mol, XLogP of 5.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(ethylamino)-3-(1-ethyl-4,4,6-trimethyl-2-oxo-3H-quinolin-7-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 87888446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).