N-(3,4-dimethylphenyl)-2-[3-[(Z)-[(2-quinolin-8-yloxyacetyl)hydrazinylidene]methyl]phenoxy]acetamide

C28H26N4O4 — CID 126025102

IUPACN-(3,4-dimethylphenyl)-2-[3-[(Z)-[(2-quinolin-8-yloxyacetyl)hydrazinylidene]methyl]phenoxy]acetamide
SMILESCc1ccc(NC(=O)COc2cccc(/C=N\NC(=O)COc3cccc4cccnc34)c2)cc1C
InChIInChI=1S/C28H26N4O4/c1-19-11-12-23(14-20(19)2)31-26(33)17-35-24-9-3-6-21(15-24)16-30-32-27(34)18-36-25-10-4-7-22-8-5-13-29-28(22)25/h3-16H,17-18H2,1-2H3,(H,31,33)(H,32,34)/b30-16-
InChIKeyHQKYPSKQHXJHKA-UHBFCERESA-N
MW482.54 g/mol
LogP4.40
Rot. Bonds9

About N-(3,4-dimethylphenyl)-2-[3-[(Z)-[(2-quinolin-8-yloxyacetyl)hydrazinylidene]methyl]phenoxy]acetamide

N-(3,4-dimethylphenyl)-2-[3-[(Z)-[(2-quinolin-8-yloxyacetyl)hydrazinylidene]methyl]phenoxy]acetamide (PubChem CID 126025102) has the molecular formula C28H26N4O4 and a molecular weight of 482.54 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[3-[(Z)-[(2-quinolin-8-yloxyacetyl)hydrazinylidene]methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-[3-[(Z)-[(2-quinolin-8-yloxyacetyl)hydrazinylidene]methyl]phenoxy]acetamide
PubChem CID126025102
Molecular FormulaC28H26N4O4
Molecular Weight482.54 g/mol
Exact Mass482.20
IUPAC NameN-(3,4-dimethylphenyl)-2-[3-[(Z)-[(2-quinolin-8-yloxyacetyl)hydrazinylidene]methyl]phenoxy]acetamide
SMILESCc1ccc(NC(=O)COc2cccc(/C=N\NC(=O)COc3cccc4cccnc34)c2)cc1C
InChIInChI=1S/C28H26N4O4/c1-19-11-12-23(14-20(19)2)31-26(33)17-35-24-9-3-6-21(15-24)16-30-32-27(34)18-36-25-10-4-7-22-8-5-13-29-28(22)25/h3-16H,17-18H2,1-2H3,(H,31,33)(H,32,34)/b30-16-
InChIKeyHQKYPSKQHXJHKA-UHBFCERESA-N
XLogP4.40
TPSA101.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.54
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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
N-[(E)-[3-[2-(3,4-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 126381101
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 6898634
3,4-dichloro-N-[(Z)-[3-[2-(3,4-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126023505
N-(2-methoxyphenyl)-2-[4-[(Z)-[(2-quinolin-8-yloxyacetyl)hydrazinylidene]methyl]phenoxy]acetamide
CID 126025869
N-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 137063536
N-(3-fluoro-4-methylphenyl)-2-quinolin-8-yloxyacetamide
CID 7893982
N-(3,4-dimethylphenyl)-2-[3-[(Z)-(quinolin-2-ylhydrazinylidene)methyl]phenoxy]acetamide
CID 126017935
N-(3,4-dimethylphenyl)-N'-[(3-ethoxyphenyl)methylideneamino]propanediamide
CID 5021212
2-bromo-N-[(Z)-[3-[2-(3,4-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126022248
2-[3-[(3,4-dichlorophenyl)iminomethyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide
CID 126384058
N-[(E)-(4-methoxy-2-methylphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 126028828

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-[3-[(Z)-[(2-quinolin-8-yloxyacetyl)hydrazinylidene]methyl]phenoxy]acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-[3-[(Z)-[(2-quinolin-8-yloxyacetyl)hydrazinylidene]methyl]phenoxy]acetamide (CID 126025102) is N-(3,4-dimethylphenyl)-2-[3-[(Z)-[(2-quinolin-8-yloxyacetyl)hydrazinylidene]methyl]phenoxy]acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-[3-[(Z)-[(2-quinolin-8-yloxyacetyl)hydrazinylidene]methyl]phenoxy]acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-[3-[(Z)-[(2-quinolin-8-yloxyacetyl)hydrazinylidene]methyl]phenoxy]acetamide is Cc1ccc(NC(=O)COc2cccc(/C=N\NC(=O)COc3cccc4cccnc34)c2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-[3-[(Z)-[(2-quinolin-8-yloxyacetyl)hydrazinylidene]methyl]phenoxy]acetamide?
The InChIKey is HQKYPSKQHXJHKA-UHBFCERESA-N. The full InChI is InChI=1S/C28H26N4O4/c1-19-11-12-23(14-20(19)2)31-26(33)17-35-24-9-3-6-21(15-24)16-30-32-27(34)18-36-25-10-4-7-22-8-5-13-29-28(22)25/h3-16H,17-18H2,1-2H3,(H,31,33)(H,32,34)/b30-16-.
What are the key properties of N-(3,4-dimethylphenyl)-2-[3-[(Z)-[(2-quinolin-8-yloxyacetyl)hydrazinylidene]methyl]phenoxy]acetamide?
N-(3,4-dimethylphenyl)-2-[3-[(Z)-[(2-quinolin-8-yloxyacetyl)hydrazinylidene]methyl]phenoxy]acetamide has a molecular weight of 482.54 g/mol, XLogP of 4.40, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-[3-[(Z)-[(2-quinolin-8-yloxyacetyl)hydrazinylidene]methyl]phenoxy]acetamide is sourced from PubChem (CID 126025102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).