3-cyclopentyl-5-[[4-(2,6-dimethylmorpholin-4-yl)-1-methyl-2-oxoquinolin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

C25H29N3O3S2 — CID 4299858

IUPAC3-cyclopentyl-5-[[4-(2,6-dimethylmorpholin-4-yl)-1-methyl-2-oxoquinolin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCC1CN(c2c(C=C3SC(=S)N(C4CCCC4)C3=O)c(=O)n(C)c3ccccc23)CC(C)O1
InChIInChI=1S/C25H29N3O3S2/c1-15-13-27(14-16(2)31-15)22-18-10-6-7-11-20(18)26(3)23(29)19(22)12-21-24(30)28(25(32)33-21)17-8-4-5-9-17/h6-7,10-12,15-17H,4-5,8-9,13-14H2,1-3H3
InChIKeyGYJUHUAEIGFREE-UHFFFAOYSA-N
MW483.66 g/mol
LogP4.30
Rot. Bonds3

About 3-cyclopentyl-5-[[4-(2,6-dimethylmorpholin-4-yl)-1-methyl-2-oxoquinolin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

3-cyclopentyl-5-[[4-(2,6-dimethylmorpholin-4-yl)-1-methyl-2-oxoquinolin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 4299858) has the molecular formula C25H29N3O3S2 and a molecular weight of 483.66 g/mol. Its IUPAC name is 3-cyclopentyl-5-[[4-(2,6-dimethylmorpholin-4-yl)-1-methyl-2-oxoquinolin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-cyclopentyl-5-[[4-(2,6-dimethylmorpholin-4-yl)-1-methyl-2-oxoquinolin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID4299858
Molecular FormulaC25H29N3O3S2
Molecular Weight483.66 g/mol
Exact Mass483.17
IUPAC Name3-cyclopentyl-5-[[4-(2,6-dimethylmorpholin-4-yl)-1-methyl-2-oxoquinolin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCC1CN(c2c(C=C3SC(=S)N(C4CCCC4)C3=O)c(=O)n(C)c3ccccc23)CC(C)O1
InChIInChI=1S/C25H29N3O3S2/c1-15-13-27(14-16(2)31-15)22-18-10-6-7-11-20(18)26(3)23(29)19(22)12-21-24(30)28(25(32)33-21)17-8-4-5-9-17/h6-7,10-12,15-17H,4-5,8-9,13-14H2,1-3H3
InChIKeyGYJUHUAEIGFREE-UHFFFAOYSA-N
XLogP4.30
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.66
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 3-cyclopentyl-5-[[4-(2,6-dimethylmorpholin-4-yl)-1-methyl-2-oxoquinolin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one 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

3-cyclopentyl-5-[[4-(2,6-dimethylmorpholin-4-yl)-1-ethyl-2-oxoquinolin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 5136085
3-cyclohexyl-5-[(1-ethyl-4-morpholin-4-yl-2-oxoquinolin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3841830
(5E)-3-cyclohexyl-5-[[2-(2,6-dimethylmorpholin-4-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 18805425
5-[(1-methyl-2-oxo-4-pyrrolidin-1-ylquinolin-3-yl)methylidene]-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3721091
5-[(1-methyl-2-oxo-4-piperidin-1-ylquinolin-3-yl)methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3430273
(5Z)-3-cyclohexyl-5-[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1348454
5-[[4-(2,6-dimethylmorpholin-4-yl)-1-ethyl-2-oxoquinolin-3-yl]methylidene]-3-[(4-methoxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4219611
5-[(1-methyl-4-morpholin-4-yl-2-oxoquinolin-3-yl)methylidene]-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3591738
5-[(1-methyl-4-morpholin-4-yl-2-oxoquinolin-3-yl)methylidene]-3-pentyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3443410
1-[3-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1-methyl-2-oxoquinolin-4-yl]piperidine-4-carboxamide
CID 3846834
5-[[4-(4-ethylpiperazin-1-yl)-1-methyl-2-oxoquinolin-3-yl]methylidene]-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3826881
3-cyclohexyl-5-[(2-methoxynaphthalen-1-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2859853

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-5-[[4-(2,6-dimethylmorpholin-4-yl)-1-methyl-2-oxoquinolin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of 3-cyclopentyl-5-[[4-(2,6-dimethylmorpholin-4-yl)-1-methyl-2-oxoquinolin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 4299858) is 3-cyclopentyl-5-[[4-(2,6-dimethylmorpholin-4-yl)-1-methyl-2-oxoquinolin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-cyclopentyl-5-[[4-(2,6-dimethylmorpholin-4-yl)-1-methyl-2-oxoquinolin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for 3-cyclopentyl-5-[[4-(2,6-dimethylmorpholin-4-yl)-1-methyl-2-oxoquinolin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is CC1CN(c2c(C=C3SC(=S)N(C4CCCC4)C3=O)c(=O)n(C)c3ccccc23)CC(C)O1.
What is the InChIKey of 3-cyclopentyl-5-[[4-(2,6-dimethylmorpholin-4-yl)-1-methyl-2-oxoquinolin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is GYJUHUAEIGFREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3S2/c1-15-13-27(14-16(2)31-15)22-18-10-6-7-11-20(18)26(3)23(29)19(22)12-21-24(30)28(25(32)33-21)17-8-4-5-9-17/h6-7,10-12,15-17H,4-5,8-9,13-14H2,1-3H3.
What are the key properties of 3-cyclopentyl-5-[[4-(2,6-dimethylmorpholin-4-yl)-1-methyl-2-oxoquinolin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
3-cyclopentyl-5-[[4-(2,6-dimethylmorpholin-4-yl)-1-methyl-2-oxoquinolin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 483.66 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-5-[[4-(2,6-dimethylmorpholin-4-yl)-1-methyl-2-oxoquinolin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 4299858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).