(E)-3-[4-[[4-[(7-chloro-3-methoxyimino-2-oxoindol-1-yl)methyl]triazol-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide

C22H19ClN6O4 — CID 142749489

IUPAC(E)-3-[4-[[4-[(7-chloro-3-methoxyimino-2-oxoindol-1-yl)methyl]triazol-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide
SMILESCON=C1C(=O)N(Cc2cn(Cc3ccc(/C=C/C(=O)NO)cc3)nn2)c2c(Cl)cccc21
InChIInChI=1S/C22H19ClN6O4/c1-33-26-20-17-3-2-4-18(23)21(17)29(22(20)31)13-16-12-28(27-24-16)11-15-7-5-14(6-8-15)9-10-19(30)25-32/h2-10,12,32H,11,13H2,1H3,(H,25,30)/b10-9+,26-20?
InChIKeyWMSMOOHBUUQPEP-IRGBHNKNSA-N
MW466.89 g/mol
LogP2.40
Rot. Bonds7

About (E)-3-[4-[[4-[(7-chloro-3-methoxyimino-2-oxoindol-1-yl)methyl]triazol-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide

(E)-3-[4-[[4-[(7-chloro-3-methoxyimino-2-oxoindol-1-yl)methyl]triazol-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide (PubChem CID 142749489) has the molecular formula C22H19ClN6O4 and a molecular weight of 466.89 g/mol. Its IUPAC name is (E)-3-[4-[[4-[(7-chloro-3-methoxyimino-2-oxoindol-1-yl)methyl]triazol-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-[[4-[(7-chloro-3-methoxyimino-2-oxoindol-1-yl)methyl]triazol-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide
PubChem CID142749489
Molecular FormulaC22H19ClN6O4
Molecular Weight466.89 g/mol
Exact Mass466.12
IUPAC Name(E)-3-[4-[[4-[(7-chloro-3-methoxyimino-2-oxoindol-1-yl)methyl]triazol-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide
SMILESCON=C1C(=O)N(Cc2cn(Cc3ccc(/C=C/C(=O)NO)cc3)nn2)c2c(Cl)cccc21
InChIInChI=1S/C22H19ClN6O4/c1-33-26-20-17-3-2-4-18(23)21(17)29(22(20)31)13-16-12-28(27-24-16)11-15-7-5-14(6-8-15)9-10-19(30)25-32/h2-10,12,32H,11,13H2,1H3,(H,25,30)/b10-9+,26-20?
InChIKeyWMSMOOHBUUQPEP-IRGBHNKNSA-N
XLogP2.40
TPSA121.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.89
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-3-[4-[[4-[(7-chloro-3-methoxyimino-2-oxoindol-1-yl)methyl]triazol-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-[4-[[(3Z)-5-chloro-3-methoxyimino-2-oxoindol-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 142732110
(E)-3-[4-[[4-[(7-chloro-2-hydroxy-3-nitrosoindol-1-yl)methyl]triazol-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 142749496
2-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]isoindole-1,3-dione
CID 134941621
3-[3-[[4-[4-[(dimethylamino)methyl]phenyl]triazol-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 123453089
(1-benzyltriazol-4-yl)methyl (E)-3-phenylprop-2-enoate
CID 102443145
(E)-N-hydroxy-3-[4-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]sulfanylmethyl]phenyl]prop-2-enamide
CID 177378852
3-[1-[(4-iodophenyl)methyl]triazol-4-yl]propyl (E)-3-phenylprop-2-enoate
CID 155517013
(E)-3-(1-benzyltriazol-4-yl)-N-(3-chloro-2-methylphenyl)prop-2-enamide
CID 26688838
(E)-3-(2-benzylindazol-5-yl)-N-hydroxyprop-2-enamide
CID 170647942
(E)-3-[4-[[(2S,6R)-2,6-dimethyl-4-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperazin-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 118367521
methyl 2-[1-[(1-benzyltriazol-4-yl)methyl]-3-hydroxy-2-oxoindol-3-yl]prop-2-enoate
CID 44541182
2-diethoxyphosphoryl-N-[[4-[(1,3-dioxobenzo[de]isoquinolin-2-yl)methyl]triazol-1-yl]methyl]acetamide
CID 171350952

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[[4-[(7-chloro-3-methoxyimino-2-oxoindol-1-yl)methyl]triazol-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[4-[[4-[(7-chloro-3-methoxyimino-2-oxoindol-1-yl)methyl]triazol-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide (CID 142749489) is (E)-3-[4-[[4-[(7-chloro-3-methoxyimino-2-oxoindol-1-yl)methyl]triazol-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[4-[[4-[(7-chloro-3-methoxyimino-2-oxoindol-1-yl)methyl]triazol-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[4-[[4-[(7-chloro-3-methoxyimino-2-oxoindol-1-yl)methyl]triazol-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide is CON=C1C(=O)N(Cc2cn(Cc3ccc(/C=C/C(=O)NO)cc3)nn2)c2c(Cl)cccc21.
What is the InChIKey of (E)-3-[4-[[4-[(7-chloro-3-methoxyimino-2-oxoindol-1-yl)methyl]triazol-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide?
The InChIKey is WMSMOOHBUUQPEP-IRGBHNKNSA-N. The full InChI is InChI=1S/C22H19ClN6O4/c1-33-26-20-17-3-2-4-18(23)21(17)29(22(20)31)13-16-12-28(27-24-16)11-15-7-5-14(6-8-15)9-10-19(30)25-32/h2-10,12,32H,11,13H2,1H3,(H,25,30)/b10-9+,26-20?.
What are the key properties of (E)-3-[4-[[4-[(7-chloro-3-methoxyimino-2-oxoindol-1-yl)methyl]triazol-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide?
(E)-3-[4-[[4-[(7-chloro-3-methoxyimino-2-oxoindol-1-yl)methyl]triazol-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide has a molecular weight of 466.89 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[[4-[(7-chloro-3-methoxyimino-2-oxoindol-1-yl)methyl]triazol-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 142749489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).