(5Z)-5-[(2-morpholin-4-ylquinolin-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one

C17H16N4O2S — CID 1396739

IUPAC(5Z)-5-[(2-morpholin-4-ylquinolin-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
SMILESO=C1NC(=S)N/C1=C\c1cc2ccccc2nc1N1CCOCC1
InChIInChI=1S/C17H16N4O2S/c22-16-14(19-17(24)20-16)10-12-9-11-3-1-2-4-13(11)18-15(12)21-5-7-23-8-6-21/h1-4,9-10H,5-8H2,(H2,19,20,22,24)/b14-10-
InChIKeyBQJHRNADTQBDSI-UVTDQMKNSA-N
MW340.41 g/mol
LogP1.42
Rot. Bonds2

About (5Z)-5-[(2-morpholin-4-ylquinolin-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one

(5Z)-5-[(2-morpholin-4-ylquinolin-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one (PubChem CID 1396739) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is (5Z)-5-[(2-morpholin-4-ylquinolin-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(2-morpholin-4-ylquinolin-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
PubChem CID1396739
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC Name(5Z)-5-[(2-morpholin-4-ylquinolin-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
SMILESO=C1NC(=S)N/C1=C\c1cc2ccccc2nc1N1CCOCC1
InChIInChI=1S/C17H16N4O2S/c22-16-14(19-17(24)20-16)10-12-9-11-3-1-2-4-13(11)18-15(12)21-5-7-23-8-6-21/h1-4,9-10H,5-8H2,(H2,19,20,22,24)/b14-10-
InChIKeyBQJHRNADTQBDSI-UVTDQMKNSA-N
XLogP1.42
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-[(2-morpholin-4-ylquinolin-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5Z)-5-[(2-morpholin-4-ylquinolin-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one (CID 1396739) is (5Z)-5-[(2-morpholin-4-ylquinolin-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(2-morpholin-4-ylquinolin-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5Z)-5-[(2-morpholin-4-ylquinolin-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one is O=C1NC(=S)N/C1=C\c1cc2ccccc2nc1N1CCOCC1.
What is the InChIKey of (5Z)-5-[(2-morpholin-4-ylquinolin-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The InChIKey is BQJHRNADTQBDSI-UVTDQMKNSA-N. The full InChI is InChI=1S/C17H16N4O2S/c22-16-14(19-17(24)20-16)10-12-9-11-3-1-2-4-13(11)18-15(12)21-5-7-23-8-6-21/h1-4,9-10H,5-8H2,(H2,19,20,22,24)/b14-10-.
What are the key properties of (5Z)-5-[(2-morpholin-4-ylquinolin-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one?
(5Z)-5-[(2-morpholin-4-ylquinolin-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one has a molecular weight of 340.41 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2-morpholin-4-ylquinolin-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 1396739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).