(5Z)-5-[(4-morpholin-4-ylquinolin-6-yl)methylidene]-2-[(1S,2R)-2-phenylcyclopropyl]imino-1,3-thiazolidin-4-one

C26H24N4O2S — CID 135989917

IUPAC(5Z)-5-[(4-morpholin-4-ylquinolin-6-yl)methylidene]-2-[(1S,2R)-2-phenylcyclopropyl]imino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\[C@H]2C[C@@H]2c2ccccc2)S/C1=C\c1ccc2nccc(N3CCOCC3)c2c1
InChIInChI=1S/C26H24N4O2S/c31-25-24(33-26(29-25)28-22-16-19(22)18-4-2-1-3-5-18)15-17-6-7-21-20(14-17)23(8-9-27-21)30-10-12-32-13-11-30/h1-9,14-15,19,22H,10-13,16H2,(H,28,29,31)/b24-15-/t19-,22+/m1/s1
InChIKeyQJBAVOJWEDDJCI-LPYFCFJWSA-N
MW456.57 g/mol
LogP4.19
Rot. Bonds4

About (5Z)-5-[(4-morpholin-4-ylquinolin-6-yl)methylidene]-2-[(1S,2R)-2-phenylcyclopropyl]imino-1,3-thiazolidin-4-one

(5Z)-5-[(4-morpholin-4-ylquinolin-6-yl)methylidene]-2-[(1S,2R)-2-phenylcyclopropyl]imino-1,3-thiazolidin-4-one (PubChem CID 135989917) has the molecular formula C26H24N4O2S and a molecular weight of 456.57 g/mol. Its IUPAC name is (5Z)-5-[(4-morpholin-4-ylquinolin-6-yl)methylidene]-2-[(1S,2R)-2-phenylcyclopropyl]imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(4-morpholin-4-ylquinolin-6-yl)methylidene]-2-[(1S,2R)-2-phenylcyclopropyl]imino-1,3-thiazolidin-4-one
PubChem CID135989917
Molecular FormulaC26H24N4O2S
Molecular Weight456.57 g/mol
Exact Mass456.16
IUPAC Name(5Z)-5-[(4-morpholin-4-ylquinolin-6-yl)methylidene]-2-[(1S,2R)-2-phenylcyclopropyl]imino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\[C@H]2C[C@@H]2c2ccccc2)S/C1=C\c1ccc2nccc(N3CCOCC3)c2c1
InChIInChI=1S/C26H24N4O2S/c31-25-24(33-26(29-25)28-22-16-19(22)18-4-2-1-3-5-18)15-17-6-7-21-20(14-17)23(8-9-27-21)30-10-12-32-13-11-30/h1-9,14-15,19,22H,10-13,16H2,(H,28,29,31)/b24-15-/t19-,22+/m1/s1
InChIKeyQJBAVOJWEDDJCI-LPYFCFJWSA-N
XLogP4.19
TPSA66.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.57
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5Z)-5-[(4-methoxyquinolin-6-yl)methylidene]-2-[(1R,2S)-2-phenylcyclopropyl]imino-1,3-thiazolidin-4-one
CID 135467081
(5Z)-5-[[4-(cyclohexylmethoxy)quinolin-6-yl]methylidene]-2-[(1R,2S)-2-phenylcyclopropyl]imino-1,3-thiazolidin-4-one
CID 135428028
(5Z)-2-(2,6-dichlorophenyl)imino-5-[(4-piperidin-1-ylquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one
CID 135435364
4-morpholin-4-ylquinoline-6-carbaldehyde;(5Z)-5-[(4-morpholin-4-ylquinolin-6-yl)methylidene]-2-(thiophen-2-ylmethylimino)-1,3-thiazolidin-4-one;2-(thiophen-2-ylmethylimino)-1,3-thiazolidin-4-one
CID 162046265
2-(2,6-dichlorophenyl)imino-5-[(4-piperazin-1-ylquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one
CID 136641671
(5Z)-5-[(4-morpholin-4-ylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135841214
2-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
CID 136654984
5-[(2-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 75571053
2-(2,6-dichlorophenyl)imino-5-[(4-phenylquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one
CID 136628070
(5E)-5-[(4-morpholin-4-ylphenyl)methylidene]-2-(4-phenoxyphenyl)imino-1,3-thiazolidin-4-one
CID 136961387
2-(2-chloro-6-phenylphenyl)imino-5-[(4-phenylquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one
CID 136594573
(5Z)-2-(oxan-4-ylmethylimino)-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
CID 135452411

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-morpholin-4-ylquinolin-6-yl)methylidene]-2-[(1S,2R)-2-phenylcyclopropyl]imino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(4-morpholin-4-ylquinolin-6-yl)methylidene]-2-[(1S,2R)-2-phenylcyclopropyl]imino-1,3-thiazolidin-4-one (CID 135989917) is (5Z)-5-[(4-morpholin-4-ylquinolin-6-yl)methylidene]-2-[(1S,2R)-2-phenylcyclopropyl]imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(4-morpholin-4-ylquinolin-6-yl)methylidene]-2-[(1S,2R)-2-phenylcyclopropyl]imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(4-morpholin-4-ylquinolin-6-yl)methylidene]-2-[(1S,2R)-2-phenylcyclopropyl]imino-1,3-thiazolidin-4-one is O=C1N/C(=N\[C@H]2C[C@@H]2c2ccccc2)S/C1=C\c1ccc2nccc(N3CCOCC3)c2c1.
What is the InChIKey of (5Z)-5-[(4-morpholin-4-ylquinolin-6-yl)methylidene]-2-[(1S,2R)-2-phenylcyclopropyl]imino-1,3-thiazolidin-4-one?
The InChIKey is QJBAVOJWEDDJCI-LPYFCFJWSA-N. The full InChI is InChI=1S/C26H24N4O2S/c31-25-24(33-26(29-25)28-22-16-19(22)18-4-2-1-3-5-18)15-17-6-7-21-20(14-17)23(8-9-27-21)30-10-12-32-13-11-30/h1-9,14-15,19,22H,10-13,16H2,(H,28,29,31)/b24-15-/t19-,22+/m1/s1.
What are the key properties of (5Z)-5-[(4-morpholin-4-ylquinolin-6-yl)methylidene]-2-[(1S,2R)-2-phenylcyclopropyl]imino-1,3-thiazolidin-4-one?
(5Z)-5-[(4-morpholin-4-ylquinolin-6-yl)methylidene]-2-[(1S,2R)-2-phenylcyclopropyl]imino-1,3-thiazolidin-4-one has a molecular weight of 456.57 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-morpholin-4-ylquinolin-6-yl)methylidene]-2-[(1S,2R)-2-phenylcyclopropyl]imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135989917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).