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

C27H24N4O5 — CID 126025869

IUPACN-(2-methoxyphenyl)-2-[4-[(Z)-[(2-quinolin-8-yloxyacetyl)hydrazinylidene]methyl]phenoxy]acetamide
SMILESCOc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)COc2cccc3cccnc23)cc1
InChIInChI=1S/C27H24N4O5/c1-34-23-9-3-2-8-22(23)30-25(32)17-35-21-13-11-19(12-14-21)16-29-31-26(33)18-36-24-10-4-6-20-7-5-15-28-27(20)24/h2-16H,17-18H2,1H3,(H,30,32)(H,31,33)/b29-16-
InChIKeyIOBXXOVNYYRXKM-MWLSYYOVSA-N
MW484.51 g/mol
LogP3.79
Rot. Bonds10

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

N-(2-methoxyphenyl)-2-[4-[(Z)-[(2-quinolin-8-yloxyacetyl)hydrazinylidene]methyl]phenoxy]acetamide (PubChem CID 126025869) has the molecular formula C27H24N4O5 and a molecular weight of 484.51 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[4-[(Z)-[(2-quinolin-8-yloxyacetyl)hydrazinylidene]methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[4-[(Z)-[(2-quinolin-8-yloxyacetyl)hydrazinylidene]methyl]phenoxy]acetamide
PubChem CID126025869
Molecular FormulaC27H24N4O5
Molecular Weight484.51 g/mol
Exact Mass484.17
IUPAC NameN-(2-methoxyphenyl)-2-[4-[(Z)-[(2-quinolin-8-yloxyacetyl)hydrazinylidene]methyl]phenoxy]acetamide
SMILESCOc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)COc2cccc3cccnc23)cc1
InChIInChI=1S/C27H24N4O5/c1-34-23-9-3-2-8-22(23)30-25(32)17-35-21-13-11-19(12-14-21)16-29-31-26(33)18-36-24-10-4-6-20-7-5-15-28-27(20)24/h2-16H,17-18H2,1H3,(H,30,32)(H,31,33)/b29-16-
InChIKeyIOBXXOVNYYRXKM-MWLSYYOVSA-N
XLogP3.79
TPSA111.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.51
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 6898634
N-[(Z)-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-naphthalen-1-ylacetamide
CID 126023867
N-[(E)-[3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 126024494
N-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 137063536
N-[(E)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 126022963
N-(3,4-dimethylphenyl)-2-[3-[(Z)-[(2-quinolin-8-yloxyacetyl)hydrazinylidene]methyl]phenoxy]acetamide
CID 126025102
2-(2-methoxyphenoxy)-N-[(Z)-quinolin-8-ylmethylideneamino]acetamide
CID 5413897
N-[(Z)-[1-(4-methoxyphenyl)pyrrol-3-yl]methylideneamino]-2-quinolin-8-yloxyacetamide
CID 50855494
N-tert-butyl-N'-[(Z)-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 94832293
(2R)-2-[2-methoxy-4-[(Z)-[(2-quinolin-8-yloxyacetyl)hydrazinylidene]methyl]phenoxy]propanoic acid
CID 41271108
N-benzyl-N'-[(E)-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]propanediamide
CID 94832239
N-[(E)-(4-methoxy-2-methylphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 126028828

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[4-[(Z)-[(2-quinolin-8-yloxyacetyl)hydrazinylidene]methyl]phenoxy]acetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[4-[(Z)-[(2-quinolin-8-yloxyacetyl)hydrazinylidene]methyl]phenoxy]acetamide (CID 126025869) is N-(2-methoxyphenyl)-2-[4-[(Z)-[(2-quinolin-8-yloxyacetyl)hydrazinylidene]methyl]phenoxy]acetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[4-[(Z)-[(2-quinolin-8-yloxyacetyl)hydrazinylidene]methyl]phenoxy]acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[4-[(Z)-[(2-quinolin-8-yloxyacetyl)hydrazinylidene]methyl]phenoxy]acetamide is COc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)COc2cccc3cccnc23)cc1.
What is the InChIKey of N-(2-methoxyphenyl)-2-[4-[(Z)-[(2-quinolin-8-yloxyacetyl)hydrazinylidene]methyl]phenoxy]acetamide?
The InChIKey is IOBXXOVNYYRXKM-MWLSYYOVSA-N. The full InChI is InChI=1S/C27H24N4O5/c1-34-23-9-3-2-8-22(23)30-25(32)17-35-21-13-11-19(12-14-21)16-29-31-26(33)18-36-24-10-4-6-20-7-5-15-28-27(20)24/h2-16H,17-18H2,1H3,(H,30,32)(H,31,33)/b29-16-.
What are the key properties of N-(2-methoxyphenyl)-2-[4-[(Z)-[(2-quinolin-8-yloxyacetyl)hydrazinylidene]methyl]phenoxy]acetamide?
N-(2-methoxyphenyl)-2-[4-[(Z)-[(2-quinolin-8-yloxyacetyl)hydrazinylidene]methyl]phenoxy]acetamide has a molecular weight of 484.51 g/mol, XLogP of 3.79, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-[4-[(Z)-[(2-quinolin-8-yloxyacetyl)hydrazinylidene]methyl]phenoxy]acetamide is sourced from PubChem (CID 126025869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).