N'-[2-(2-cyanophenoxy)acetyl]-2,6-dimethylquinoline-3-carbohydrazide

C21H18N4O3 — CID 35947821

IUPACN'-[2-(2-cyanophenoxy)acetyl]-2,6-dimethylquinoline-3-carbohydrazide
SMILESCc1ccc2nc(C)c(C(=O)NNC(=O)COc3ccccc3C#N)cc2c1
InChIInChI=1S/C21H18N4O3/c1-13-7-8-18-16(9-13)10-17(14(2)23-18)21(27)25-24-20(26)12-28-19-6-4-3-5-15(19)11-22/h3-10H,12H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyJSXYLBXSCNHGME-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.56
Rot. Bonds4

About N'-[2-(2-cyanophenoxy)acetyl]-2,6-dimethylquinoline-3-carbohydrazide

N'-[2-(2-cyanophenoxy)acetyl]-2,6-dimethylquinoline-3-carbohydrazide (PubChem CID 35947821) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is N'-[2-(2-cyanophenoxy)acetyl]-2,6-dimethylquinoline-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2-cyanophenoxy)acetyl]-2,6-dimethylquinoline-3-carbohydrazide
PubChem CID35947821
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC NameN'-[2-(2-cyanophenoxy)acetyl]-2,6-dimethylquinoline-3-carbohydrazide
SMILESCc1ccc2nc(C)c(C(=O)NNC(=O)COc3ccccc3C#N)cc2c1
InChIInChI=1S/C21H18N4O3/c1-13-7-8-18-16(9-13)10-17(14(2)23-18)21(27)25-24-20(26)12-28-19-6-4-3-5-15(19)11-22/h3-10H,12H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyJSXYLBXSCNHGME-UHFFFAOYSA-N
XLogP2.56
TPSA104.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N'-[2-(2-cyanophenoxy)acetyl]-2-methoxybenzohydrazide
CID 4811622
N'-[2-(2-cyanophenoxy)acetyl]-2-(2-methoxy-5-methylphenyl)acetohydrazide
CID 9376079
N'-[2-(2-cyanophenoxy)acetyl]-4-(4-methylphenoxy)butanehydrazide
CID 24645668
1-[[2-(2-cyanophenoxy)acetyl]amino]-3-(6-methylpyridazin-3-yl)urea
CID 166386226
4-tert-butyl-N-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide
CID 4850375
N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methoxynaphthalene-2-carbohydrazide
CID 9393736
N-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-2-iodobenzamide
CID 35946068
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9275304
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9274969
N'-[2-(2-cyanophenoxy)acetyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanehydrazide
CID 24645648
2-(2-cyanophenyl)-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 34656833
N'-[2-(2,5-dimethylphenoxy)acetyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide
CID 35803935

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-cyanophenoxy)acetyl]-2,6-dimethylquinoline-3-carbohydrazide?
The IUPAC name of N'-[2-(2-cyanophenoxy)acetyl]-2,6-dimethylquinoline-3-carbohydrazide (CID 35947821) is N'-[2-(2-cyanophenoxy)acetyl]-2,6-dimethylquinoline-3-carbohydrazide.
What is the SMILES notation for N'-[2-(2-cyanophenoxy)acetyl]-2,6-dimethylquinoline-3-carbohydrazide?
The canonical SMILES for N'-[2-(2-cyanophenoxy)acetyl]-2,6-dimethylquinoline-3-carbohydrazide is Cc1ccc2nc(C)c(C(=O)NNC(=O)COc3ccccc3C#N)cc2c1.
What is the InChIKey of N'-[2-(2-cyanophenoxy)acetyl]-2,6-dimethylquinoline-3-carbohydrazide?
The InChIKey is JSXYLBXSCNHGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-13-7-8-18-16(9-13)10-17(14(2)23-18)21(27)25-24-20(26)12-28-19-6-4-3-5-15(19)11-22/h3-10H,12H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N'-[2-(2-cyanophenoxy)acetyl]-2,6-dimethylquinoline-3-carbohydrazide?
N'-[2-(2-cyanophenoxy)acetyl]-2,6-dimethylquinoline-3-carbohydrazide has a molecular weight of 374.40 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-cyanophenoxy)acetyl]-2,6-dimethylquinoline-3-carbohydrazide is sourced from PubChem (CID 35947821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).