2-[2-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]phenoxy]acetate

C18H14N3O3- — CID 7640513

IUPAC2-[2-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]phenoxy]acetate
SMILESO=C([O-])COc1ccccc1/C=N\Nc1cccc2cccnc12
InChIInChI=1S/C18H15N3O3/c22-17(23)12-24-16-9-2-1-5-14(16)11-20-21-15-8-3-6-13-7-4-10-19-18(13)15/h1-11,21H,12H2,(H,22,23)/p-1/b20-11-
InChIKeyVCZKKMUVESJGRK-JAIQZWGSSA-M
MW320.33 g/mol
LogP1.81
Rot. Bonds6

About 2-[2-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]phenoxy]acetate

2-[2-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]phenoxy]acetate (PubChem CID 7640513) has the molecular formula C18H14N3O3- and a molecular weight of 320.33 g/mol. Its IUPAC name is 2-[2-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]phenoxy]acetate.

Molecular Properties

Compound Name2-[2-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]phenoxy]acetate
PubChem CID7640513
Molecular FormulaC18H14N3O3-
Molecular Weight320.33 g/mol
Exact Mass320.10
IUPAC Name2-[2-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]phenoxy]acetate
SMILESO=C([O-])COc1ccccc1/C=N\Nc1cccc2cccnc12
InChIInChI=1S/C18H15N3O3/c22-17(23)12-24-16-9-2-1-5-14(16)11-20-21-15-8-3-6-13-7-4-10-19-18(13)15/h1-11,21H,12H2,(H,22,23)/p-1/b20-11-
InChIKeyVCZKKMUVESJGRK-JAIQZWGSSA-M
XLogP1.81
TPSA86.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 51.81
H-Bond Donors ≤ 51
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

2-quinolin-8-yloxyacetate
CID 6950984
2-nitro-6-[(quinolin-8-ylhydrazinylidene)methyl]phenol
CID 5006377
2-[2-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]phenoxy]acetate
CID 7997533
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 136817914
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 135627845
2-[2-[(Z)-(methoxycarbonylhydrazinylidene)methyl]phenoxy]acetate
CID 7341340
2-(2-methoxyphenoxy)-N-[(Z)-quinolin-8-ylmethylideneamino]acetamide
CID 5413897
2,4-dibromo-6-[(quinolin-8-ylhydrazinylidene)methyl]phenol
CID 3093103
2-[2-[(Z)-[(2-methylphenyl)carbamothioylhydrazinylidene]methyl]phenoxy]acetate
CID 7933533
N-[(E)-[(2E)-2-(quinolin-8-ylhydrazinylidene)ethylidene]amino]quinolin-8-amine
CID 6870658
2-[2-[(E)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetate
CID 6870474
1-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]naphthalen-2-ol
CID 136913864

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]phenoxy]acetate?
The IUPAC name of 2-[2-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]phenoxy]acetate (CID 7640513) is 2-[2-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]phenoxy]acetate.
What is the SMILES notation for 2-[2-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]phenoxy]acetate?
The canonical SMILES for 2-[2-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]phenoxy]acetate is O=C([O-])COc1ccccc1/C=N\Nc1cccc2cccnc12.
What is the InChIKey of 2-[2-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]phenoxy]acetate?
The InChIKey is VCZKKMUVESJGRK-JAIQZWGSSA-M. The full InChI is InChI=1S/C18H15N3O3/c22-17(23)12-24-16-9-2-1-5-14(16)11-20-21-15-8-3-6-13-7-4-10-19-18(13)15/h1-11,21H,12H2,(H,22,23)/p-1/b20-11-.
What are the key properties of 2-[2-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]phenoxy]acetate?
2-[2-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]phenoxy]acetate has a molecular weight of 320.33 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]phenoxy]acetate is sourced from PubChem (CID 7640513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).