N-(3,4-dimethylphenyl)-2-[3-[(Z)-(quinolin-2-ylhydrazinylidene)methyl]phenoxy]acetamide

C26H24N4O2 — CID 126017935

IUPACN-(3,4-dimethylphenyl)-2-[3-[(Z)-(quinolin-2-ylhydrazinylidene)methyl]phenoxy]acetamide
SMILESCc1ccc(NC(=O)COc2cccc(/C=N\Nc3ccc4ccccc4n3)c2)cc1C
InChIInChI=1S/C26H24N4O2/c1-18-10-12-22(14-19(18)2)28-26(31)17-32-23-8-5-6-20(15-23)16-27-30-25-13-11-21-7-3-4-9-24(21)29-25/h3-16H,17H2,1-2H3,(H,28,31)(H,29,30)/b27-16-
InChIKeyHGWDVMXCXGVCKG-YUMHPJSZSA-N
MW424.50 g/mol
LogP5.32
Rot. Bonds7

About N-(3,4-dimethylphenyl)-2-[3-[(Z)-(quinolin-2-ylhydrazinylidene)methyl]phenoxy]acetamide

N-(3,4-dimethylphenyl)-2-[3-[(Z)-(quinolin-2-ylhydrazinylidene)methyl]phenoxy]acetamide (PubChem CID 126017935) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[3-[(Z)-(quinolin-2-ylhydrazinylidene)methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-[3-[(Z)-(quinolin-2-ylhydrazinylidene)methyl]phenoxy]acetamide
PubChem CID126017935
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC NameN-(3,4-dimethylphenyl)-2-[3-[(Z)-(quinolin-2-ylhydrazinylidene)methyl]phenoxy]acetamide
SMILESCc1ccc(NC(=O)COc2cccc(/C=N\Nc3ccc4ccccc4n3)c2)cc1C
InChIInChI=1S/C26H24N4O2/c1-18-10-12-22(14-19(18)2)28-26(31)17-32-23-8-5-6-20(15-23)16-27-30-25-13-11-21-7-3-4-9-24(21)29-25/h3-16H,17H2,1-2H3,(H,28,31)(H,29,30)/b27-16-
InChIKeyHGWDVMXCXGVCKG-YUMHPJSZSA-N
XLogP5.32
TPSA75.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.50
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[(Z)-[3-[2-(3,4-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3,4-dimethylphenyl)oxamide
CID 126169306
2-bromo-N-[(Z)-[3-[2-(3,4-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126022248
N-(3,4-dimethylphenyl)-2-[3-[(Z)-[(2-quinolin-8-yloxyacetyl)hydrazinylidene]methyl]phenoxy]acetamide
CID 126025102
N-[(E)-[3-[2-(3,4-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 126381101
2-[3-[(2-chlorophenyl)iminomethyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide
CID 126376137
2-[3-[(3,4-dichlorophenyl)iminomethyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide
CID 126384058
3,4-dichloro-N-[(Z)-[3-[2-(3,4-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126023505
2,4-dichloro-N-[(Z)-[3-[2-(3,4-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126026470
2-[3-[[4-(dimethylamino)phenyl]iminomethyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide
CID 126384717
N'-[(Z)-[3-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3,4-dimethylphenyl)oxamide
CID 126161944
N-(3,4-dimethylphenyl)-N'-[(3-ethoxyphenyl)methylideneamino]propanediamide
CID 5021212
N'-[(Z)-[3-[2-(3-chloro-4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3,4-dimethylphenyl)oxamide
CID 126160299

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-[3-[(Z)-(quinolin-2-ylhydrazinylidene)methyl]phenoxy]acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-[3-[(Z)-(quinolin-2-ylhydrazinylidene)methyl]phenoxy]acetamide (CID 126017935) is N-(3,4-dimethylphenyl)-2-[3-[(Z)-(quinolin-2-ylhydrazinylidene)methyl]phenoxy]acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-[3-[(Z)-(quinolin-2-ylhydrazinylidene)methyl]phenoxy]acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-[3-[(Z)-(quinolin-2-ylhydrazinylidene)methyl]phenoxy]acetamide is Cc1ccc(NC(=O)COc2cccc(/C=N\Nc3ccc4ccccc4n3)c2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-[3-[(Z)-(quinolin-2-ylhydrazinylidene)methyl]phenoxy]acetamide?
The InChIKey is HGWDVMXCXGVCKG-YUMHPJSZSA-N. The full InChI is InChI=1S/C26H24N4O2/c1-18-10-12-22(14-19(18)2)28-26(31)17-32-23-8-5-6-20(15-23)16-27-30-25-13-11-21-7-3-4-9-24(21)29-25/h3-16H,17H2,1-2H3,(H,28,31)(H,29,30)/b27-16-.
What are the key properties of N-(3,4-dimethylphenyl)-2-[3-[(Z)-(quinolin-2-ylhydrazinylidene)methyl]phenoxy]acetamide?
N-(3,4-dimethylphenyl)-2-[3-[(Z)-(quinolin-2-ylhydrazinylidene)methyl]phenoxy]acetamide has a molecular weight of 424.50 g/mol, XLogP of 5.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-[3-[(Z)-(quinolin-2-ylhydrazinylidene)methyl]phenoxy]acetamide is sourced from PubChem (CID 126017935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).