(3E)-1-ethyl-3-[(Z)-(4-morpholin-4-ylphenyl)methylidenehydrazinylidene]indol-2-one

C21H22N4O2 — CID 9122462

IUPAC(3E)-1-ethyl-3-[(Z)-(4-morpholin-4-ylphenyl)methylidenehydrazinylidene]indol-2-one
SMILESCCN1C(=O)/C(=N/N=C\c2ccc(N3CCOCC3)cc2)c2ccccc21
InChIInChI=1S/C21H22N4O2/c1-2-25-19-6-4-3-5-18(19)20(21(25)26)23-22-15-16-7-9-17(10-8-16)24-11-13-27-14-12-24/h3-10,15H,2,11-14H2,1H3/b22-15-,23-20+
InChIKeyRFRRUQLXVAVEPY-RVBHRSKQSA-N
MW362.43 g/mol
LogP2.71
Rot. Bonds4

About (3E)-1-ethyl-3-[(Z)-(4-morpholin-4-ylphenyl)methylidenehydrazinylidene]indol-2-one

(3E)-1-ethyl-3-[(Z)-(4-morpholin-4-ylphenyl)methylidenehydrazinylidene]indol-2-one (PubChem CID 9122462) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is (3E)-1-ethyl-3-[(Z)-(4-morpholin-4-ylphenyl)methylidenehydrazinylidene]indol-2-one.

Molecular Properties

Compound Name(3E)-1-ethyl-3-[(Z)-(4-morpholin-4-ylphenyl)methylidenehydrazinylidene]indol-2-one
PubChem CID9122462
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name(3E)-1-ethyl-3-[(Z)-(4-morpholin-4-ylphenyl)methylidenehydrazinylidene]indol-2-one
SMILESCCN1C(=O)/C(=N/N=C\c2ccc(N3CCOCC3)cc2)c2ccccc21
InChIInChI=1S/C21H22N4O2/c1-2-25-19-6-4-3-5-18(19)20(21(25)26)23-22-15-16-7-9-17(10-8-16)24-11-13-27-14-12-24/h3-10,15H,2,11-14H2,1H3/b22-15-,23-20+
InChIKeyRFRRUQLXVAVEPY-RVBHRSKQSA-N
XLogP2.71
TPSA57.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_isatin(189)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_J(3)', '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

(3E)-3-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylidenehydrazinylidene]-1-propylindol-2-one
CID 9460537
(3E)-3-[(Z)-(4-bromothiophen-2-yl)methylidenehydrazinylidene]-1-ethylindol-2-one
CID 9122414
(3E)-1-ethyl-3-[(Z)-(5-methylthiophen-2-yl)methylidenehydrazinylidene]indol-2-one
CID 9122516
[4-[(Z)-[(Z)-(1-ethyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]-2-methoxyphenyl] cyclopropanecarboxylate
CID 9122525
1-benzyl-3-[(4-methoxyphenyl)methylidenehydrazinylidene]indol-2-one
CID 5116562
(3Z)-3-[(Z)-(4-ethoxyphenyl)methylidenehydrazinylidene]-1-methylindol-2-one
CID 9214007
(E)-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]-1-(4-piperidin-1-ylphenyl)methanimine
CID 172986311
1-ethyl-3-phenyliminoindol-2-one
CID 23936952
3-[N-methyl-4-[(Z)-[(E)-(2-oxo-1-propylindol-3-ylidene)hydrazinylidene]methyl]anilino]propanenitrile
CID 9258983
N,N-dimethyl-4-[(E)-[(E)-(4-morpholin-4-ylphenyl)methylidenehydrazinylidene]methyl]aniline
CID 154979796
(3E)-1-propyl-3-[(Z)-pyridin-2-ylmethylidenehydrazinylidene]indol-2-one
CID 9460349
N-[(4-morpholin-4-ylphenyl)methylideneamino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide
CID 2343026

Frequently Asked Questions

What is the IUPAC name of (3E)-1-ethyl-3-[(Z)-(4-morpholin-4-ylphenyl)methylidenehydrazinylidene]indol-2-one?
The IUPAC name of (3E)-1-ethyl-3-[(Z)-(4-morpholin-4-ylphenyl)methylidenehydrazinylidene]indol-2-one (CID 9122462) is (3E)-1-ethyl-3-[(Z)-(4-morpholin-4-ylphenyl)methylidenehydrazinylidene]indol-2-one.
What is the SMILES notation for (3E)-1-ethyl-3-[(Z)-(4-morpholin-4-ylphenyl)methylidenehydrazinylidene]indol-2-one?
The canonical SMILES for (3E)-1-ethyl-3-[(Z)-(4-morpholin-4-ylphenyl)methylidenehydrazinylidene]indol-2-one is CCN1C(=O)/C(=N/N=C\c2ccc(N3CCOCC3)cc2)c2ccccc21.
What is the InChIKey of (3E)-1-ethyl-3-[(Z)-(4-morpholin-4-ylphenyl)methylidenehydrazinylidene]indol-2-one?
The InChIKey is RFRRUQLXVAVEPY-RVBHRSKQSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-2-25-19-6-4-3-5-18(19)20(21(25)26)23-22-15-16-7-9-17(10-8-16)24-11-13-27-14-12-24/h3-10,15H,2,11-14H2,1H3/b22-15-,23-20+.
What are the key properties of (3E)-1-ethyl-3-[(Z)-(4-morpholin-4-ylphenyl)methylidenehydrazinylidene]indol-2-one?
(3E)-1-ethyl-3-[(Z)-(4-morpholin-4-ylphenyl)methylidenehydrazinylidene]indol-2-one has a molecular weight of 362.43 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-1-ethyl-3-[(Z)-(4-morpholin-4-ylphenyl)methylidenehydrazinylidene]indol-2-one is sourced from PubChem (CID 9122462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).