(3E)-3-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylidenehydrazinylidene]-1-propylindol-2-one

C20H22N4O2S — CID 9460537

IUPAC(3E)-3-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylidenehydrazinylidene]-1-propylindol-2-one
SMILESCCCN1C(=O)/C(=N/N=C\c2ccc(N3CCOCC3)s2)c2ccccc21
InChIInChI=1S/C20H22N4O2S/c1-2-9-24-17-6-4-3-5-16(17)19(20(24)25)22-21-14-15-7-8-18(27-15)23-10-12-26-13-11-23/h3-8,14H,2,9-13H2,1H3/b21-14-,22-19+
InChIKeyMKLYNPXTCOZOOR-DUJAICSQSA-N
MW382.49 g/mol
LogP3.16
Rot. Bonds5

About (3E)-3-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylidenehydrazinylidene]-1-propylindol-2-one

(3E)-3-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylidenehydrazinylidene]-1-propylindol-2-one (PubChem CID 9460537) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is (3E)-3-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylidenehydrazinylidene]-1-propylindol-2-one.

Molecular Properties

Compound Name(3E)-3-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylidenehydrazinylidene]-1-propylindol-2-one
PubChem CID9460537
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC Name(3E)-3-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylidenehydrazinylidene]-1-propylindol-2-one
SMILESCCCN1C(=O)/C(=N/N=C\c2ccc(N3CCOCC3)s2)c2ccccc21
InChIInChI=1S/C20H22N4O2S/c1-2-9-24-17-6-4-3-5-16(17)19(20(24)25)22-21-14-15-7-8-18(27-15)23-10-12-26-13-11-23/h3-8,14H,2,9-13H2,1H3/b21-14-,22-19+
InChIKeyMKLYNPXTCOZOOR-DUJAICSQSA-N
XLogP3.16
TPSA57.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_isatin(189)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]fluoren-9-imine
CID 8980480
(3E)-1-ethyl-3-[(Z)-(4-morpholin-4-ylphenyl)methylidenehydrazinylidene]indol-2-one
CID 9122462
(3E)-1-ethyl-3-[(Z)-(5-methylthiophen-2-yl)methylidenehydrazinylidene]indol-2-one
CID 9122516
(3E)-1-propyl-3-[(Z)-pyridin-2-ylmethylidenehydrazinylidene]indol-2-one
CID 9460349
2-morpholin-4-yl-5-(2-oxo-1-propylindol-3-ylidene)-1,3-thiazol-4-one
CID 1118412
2-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzo[de]isoquinoline-1,3-dione
CID 9359836
(3E)-3-[(Z)-(4-bromothiophen-2-yl)methylidenehydrazinylidene]-1-ethylindol-2-one
CID 9122414
3-[N-methyl-4-[(Z)-[(E)-(2-oxo-1-propylindol-3-ylidene)hydrazinylidene]methyl]anilino]propanenitrile
CID 9258983
3-(4-methylphenyl)imino-1-(morpholin-4-ylmethyl)indol-2-one
CID 746190
(4Z)-2-(3-methylphenyl)-4-[(5-morpholin-4-ylthiophen-2-yl)methylidene]isoquinoline-1,3-dione
CID 2432201
2-(2-iodophenyl)-4-[(5-morpholin-4-ylthiophen-2-yl)methylidene]-1,3-oxazol-5-one
CID 3656376
(3E)-2-(2-hydroxyethyl)-3-[(5-morpholin-4-ylthiophen-2-yl)methylidene]-1,1-dioxo-1λ6,2-benzothiazin-4-one
CID 42571718

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylidenehydrazinylidene]-1-propylindol-2-one?
The IUPAC name of (3E)-3-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylidenehydrazinylidene]-1-propylindol-2-one (CID 9460537) is (3E)-3-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylidenehydrazinylidene]-1-propylindol-2-one.
What is the SMILES notation for (3E)-3-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylidenehydrazinylidene]-1-propylindol-2-one?
The canonical SMILES for (3E)-3-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylidenehydrazinylidene]-1-propylindol-2-one is CCCN1C(=O)/C(=N/N=C\c2ccc(N3CCOCC3)s2)c2ccccc21.
What is the InChIKey of (3E)-3-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylidenehydrazinylidene]-1-propylindol-2-one?
The InChIKey is MKLYNPXTCOZOOR-DUJAICSQSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-2-9-24-17-6-4-3-5-16(17)19(20(24)25)22-21-14-15-7-8-18(27-15)23-10-12-26-13-11-23/h3-8,14H,2,9-13H2,1H3/b21-14-,22-19+.
What are the key properties of (3E)-3-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylidenehydrazinylidene]-1-propylindol-2-one?
(3E)-3-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylidenehydrazinylidene]-1-propylindol-2-one has a molecular weight of 382.49 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylidenehydrazinylidene]-1-propylindol-2-one is sourced from PubChem (CID 9460537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).