[4-[(Z)-[(Z)-(1-ethyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]-2-methoxyphenyl] cyclopropanecarboxylate

C22H21N3O4 — CID 9122525

IUPAC[4-[(Z)-[(Z)-(1-ethyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]-2-methoxyphenyl] cyclopropanecarboxylate
SMILESCCN1C(=O)/C(=N\N=C/c2ccc(OC(=O)C3CC3)c(OC)c2)c2ccccc21
InChIInChI=1S/C22H21N3O4/c1-3-25-17-7-5-4-6-16(17)20(21(25)26)24-23-13-14-8-11-18(19(12-14)28-2)29-22(27)15-9-10-15/h4-8,11-13,15H,3,9-10H2,1-2H3/b23-13-,24-20-
InChIKeyRZXXRVDRPIITJJ-YNNGSFAOSA-N
MW391.43 g/mol
LogP3.20
Rot. Bonds6

About [4-[(Z)-[(Z)-(1-ethyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]-2-methoxyphenyl] cyclopropanecarboxylate

[4-[(Z)-[(Z)-(1-ethyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]-2-methoxyphenyl] cyclopropanecarboxylate (PubChem CID 9122525) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is [4-[(Z)-[(Z)-(1-ethyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]-2-methoxyphenyl] cyclopropanecarboxylate.

Molecular Properties

Compound Name[4-[(Z)-[(Z)-(1-ethyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]-2-methoxyphenyl] cyclopropanecarboxylate
PubChem CID9122525
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC Name[4-[(Z)-[(Z)-(1-ethyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]-2-methoxyphenyl] cyclopropanecarboxylate
SMILESCCN1C(=O)/C(=N\N=C/c2ccc(OC(=O)C3CC3)c(OC)c2)c2ccccc21
InChIInChI=1S/C22H21N3O4/c1-3-25-17-7-5-4-6-16(17)20(21(25)26)24-23-13-14-8-11-18(19(12-14)28-2)29-22(27)15-9-10-15/h4-8,11-13,15H,3,9-10H2,1-2H3/b23-13-,24-20-
InChIKeyRZXXRVDRPIITJJ-YNNGSFAOSA-N
XLogP3.20
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 53.20
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'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-[(Z)-(1,3-dioxoisoindol-2-yl)iminomethyl]-2-methoxyphenyl] cyclopropanecarboxylate
CID 9072432
(3Z)-1-benzyl-3-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]indol-2-one
CID 135733167
2-[2-methoxy-4-[(Z)-[(Z)-(1-methyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]phenoxy]acetamide
CID 9213842
N-ethyl-2-[2-methoxy-4-[(Z)-[(Z)-(1-methyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]phenoxy]acetamide
CID 9213838
(3Z)-3-[(Z)-(3-hydroxy-4-methoxyphenyl)methylidenehydrazinylidene]-1-methylindol-2-one
CID 9214073
(3E)-1-ethyl-3-[(Z)-(4-morpholin-4-ylphenyl)methylidenehydrazinylidene]indol-2-one
CID 9122462
[4-[(Z)-(cyclopropanecarbonylhydrazinylidene)methyl]-2-methoxyphenyl] cyclopropanecarboxylate
CID 9234824
(Z)-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]fluoren-9-imine
CID 5408315
1-benzyl-3-[(4-methoxyphenyl)methylidenehydrazinylidene]indol-2-one
CID 5116562
[2-methoxy-4-[(phenylhydrazinylidene)methyl]phenyl] cyclohexanecarboxylate
CID 169383112
(3E)-3-[(Z)-(4-bromothiophen-2-yl)methylidenehydrazinylidene]-1-ethylindol-2-one
CID 9122414
[2-methoxy-4-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] cyclopropanecarboxylate
CID 9015267

Frequently Asked Questions

What is the IUPAC name of [4-[(Z)-[(Z)-(1-ethyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]-2-methoxyphenyl] cyclopropanecarboxylate?
The IUPAC name of [4-[(Z)-[(Z)-(1-ethyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]-2-methoxyphenyl] cyclopropanecarboxylate (CID 9122525) is [4-[(Z)-[(Z)-(1-ethyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]-2-methoxyphenyl] cyclopropanecarboxylate.
What is the SMILES notation for [4-[(Z)-[(Z)-(1-ethyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]-2-methoxyphenyl] cyclopropanecarboxylate?
The canonical SMILES for [4-[(Z)-[(Z)-(1-ethyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]-2-methoxyphenyl] cyclopropanecarboxylate is CCN1C(=O)/C(=N\N=C/c2ccc(OC(=O)C3CC3)c(OC)c2)c2ccccc21.
What is the InChIKey of [4-[(Z)-[(Z)-(1-ethyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]-2-methoxyphenyl] cyclopropanecarboxylate?
The InChIKey is RZXXRVDRPIITJJ-YNNGSFAOSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-3-25-17-7-5-4-6-16(17)20(21(25)26)24-23-13-14-8-11-18(19(12-14)28-2)29-22(27)15-9-10-15/h4-8,11-13,15H,3,9-10H2,1-2H3/b23-13-,24-20-.
What are the key properties of [4-[(Z)-[(Z)-(1-ethyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]-2-methoxyphenyl] cyclopropanecarboxylate?
[4-[(Z)-[(Z)-(1-ethyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]-2-methoxyphenyl] cyclopropanecarboxylate has a molecular weight of 391.43 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(Z)-[(Z)-(1-ethyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]-2-methoxyphenyl] cyclopropanecarboxylate is sourced from PubChem (CID 9122525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).