N-[2-[2-[2-(2-ethoxyphenoxy)acetyl]hydrazinyl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide

C22H22N4O6 — CID 55786955

IUPACN-[2-[2-[2-(2-ethoxyphenoxy)acetyl]hydrazinyl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCCOc1ccccc1OCC(=O)NNC(=O)CNC(=O)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C22H22N4O6/c1-2-31-17-9-5-6-10-18(17)32-13-20(28)26-25-19(27)12-24-22(30)15-11-23-16-8-4-3-7-14(16)21(15)29/h3-11H,2,12-13H2,1H3,(H,23,29)(H,24,30)(H,25,27)(H,26,28)
InChIKeyJWBUQGDLYCMFJQ-UHFFFAOYSA-N
MW438.44 g/mol
LogP0.88
Rot. Bonds8

About N-[2-[2-[2-(2-ethoxyphenoxy)acetyl]hydrazinyl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide

N-[2-[2-[2-(2-ethoxyphenoxy)acetyl]hydrazinyl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 55786955) has the molecular formula C22H22N4O6 and a molecular weight of 438.44 g/mol. Its IUPAC name is N-[2-[2-[2-(2-ethoxyphenoxy)acetyl]hydrazinyl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[2-(2-ethoxyphenoxy)acetyl]hydrazinyl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
PubChem CID55786955
Molecular FormulaC22H22N4O6
Molecular Weight438.44 g/mol
Exact Mass438.15
IUPAC NameN-[2-[2-[2-(2-ethoxyphenoxy)acetyl]hydrazinyl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCCOc1ccccc1OCC(=O)NNC(=O)CNC(=O)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C22H22N4O6/c1-2-31-17-9-5-6-10-18(17)32-13-20(28)26-25-19(27)12-24-22(30)15-11-23-16-8-4-3-7-14(16)21(15)29/h3-11H,2,12-13H2,1H3,(H,23,29)(H,24,30)(H,25,27)(H,26,28)
InChIKeyJWBUQGDLYCMFJQ-UHFFFAOYSA-N
XLogP0.88
TPSA138.62 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.44
LogP ≤ 50.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(2-methylbenzoyl)hydrazinyl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 55789378
4-oxo-N'-(3,4,5-triethoxybenzoyl)-1H-quinoline-3-carbohydrazide
CID 55602361
N'-[4-(2-ethoxyphenoxy)butanoyl]-1H-indole-3-carbohydrazide
CID 78800173
N-[2-[(2-amino-2-methylpropyl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride
CID 119630571
N'-[2-(4-ethoxyphenoxy)acetyl]-1H-indole-3-carbohydrazide
CID 30455658
N-[2-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 55976567
N-[2-[(4-cyanophenyl)methylamino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 60506475
N-[2-[2-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethylamino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 56562425
N'-(2-methoxybenzoyl)-4-oxo-1H-quinoline-3-carbohydrazide
CID 39848788
N-[2-[[4-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 55847321
4-oxo-N-[[4-(phenylmethoxymethyl)phenyl]methyl]-1H-quinoline-3-carboxamide
CID 60553799
[4-(2-ethoxyphenyl)-3-[(4-oxo-1H-quinoline-3-carbonyl)amino]phenyl]methylcarbamic acid
CID 66676219

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(2-ethoxyphenoxy)acetyl]hydrazinyl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[2-[2-[2-(2-ethoxyphenoxy)acetyl]hydrazinyl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide (CID 55786955) is N-[2-[2-[2-(2-ethoxyphenoxy)acetyl]hydrazinyl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[2-[2-[2-(2-ethoxyphenoxy)acetyl]hydrazinyl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[2-[2-[2-(2-ethoxyphenoxy)acetyl]hydrazinyl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide is CCOc1ccccc1OCC(=O)NNC(=O)CNC(=O)c1c[nH]c2ccccc2c1=O.
What is the InChIKey of N-[2-[2-[2-(2-ethoxyphenoxy)acetyl]hydrazinyl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is JWBUQGDLYCMFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O6/c1-2-31-17-9-5-6-10-18(17)32-13-20(28)26-25-19(27)12-24-22(30)15-11-23-16-8-4-3-7-14(16)21(15)29/h3-11H,2,12-13H2,1H3,(H,23,29)(H,24,30)(H,25,27)(H,26,28).
What are the key properties of N-[2-[2-[2-(2-ethoxyphenoxy)acetyl]hydrazinyl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide?
N-[2-[2-[2-(2-ethoxyphenoxy)acetyl]hydrazinyl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 438.44 g/mol, XLogP of 0.88, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(2-ethoxyphenoxy)acetyl]hydrazinyl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 55786955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).