(5Z)-5-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

C18H17N3O3S2 — CID 1388377

IUPAC(5Z)-5-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCOc1ccc2cc(/C=C3\SC(=S)NC3=O)c(N3CCOCC3)nc2c1
InChIInChI=1S/C18H17N3O3S2/c1-23-13-3-2-11-8-12(9-15-17(22)20-18(25)26-15)16(19-14(11)10-13)21-4-6-24-7-5-21/h2-3,8-10H,4-7H2,1H3,(H,20,22,25)/b15-9-
InChIKeyPTQLQVYOKXZJGW-DHDCSXOGSA-N
MW387.49 g/mol
LogP2.57
Rot. Bonds3

About (5Z)-5-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-5-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 1388377) has the molecular formula C18H17N3O3S2 and a molecular weight of 387.49 g/mol. Its IUPAC name is (5Z)-5-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID1388377
Molecular FormulaC18H17N3O3S2
Molecular Weight387.49 g/mol
Exact Mass387.07
IUPAC Name(5Z)-5-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCOc1ccc2cc(/C=C3\SC(=S)NC3=O)c(N3CCOCC3)nc2c1
InChIInChI=1S/C18H17N3O3S2/c1-23-13-3-2-11-8-12(9-15-17(22)20-18(25)26-15)16(19-14(11)10-13)21-4-6-24-7-5-21/h2-3,8-10H,4-7H2,1H3,(H,20,22,25)/b15-9-
InChIKeyPTQLQVYOKXZJGW-DHDCSXOGSA-N
XLogP2.57
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 52.57
H-Bond Donors ≤ 51
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'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 1388377) is (5Z)-5-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is COc1ccc2cc(/C=C3\SC(=S)NC3=O)c(N3CCOCC3)nc2c1.
What is the InChIKey of (5Z)-5-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is PTQLQVYOKXZJGW-DHDCSXOGSA-N. The full InChI is InChI=1S/C18H17N3O3S2/c1-23-13-3-2-11-8-12(9-15-17(22)20-18(25)26-15)16(19-14(11)10-13)21-4-6-24-7-5-21/h2-3,8-10H,4-7H2,1H3,(H,20,22,25)/b15-9-.
What are the key properties of (5Z)-5-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-5-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 387.49 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 1388377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).