(E)-N'-[2-(2-phenylphenoxy)acetyl]-3-quinoxalin-2-ylprop-2-enehydrazide

C25H20N4O3 — CID 26840468

IUPAC(E)-N'-[2-(2-phenylphenoxy)acetyl]-3-quinoxalin-2-ylprop-2-enehydrazide
SMILESO=C(/C=C/c1cnc2ccccc2n1)NNC(=O)COc1ccccc1-c1ccccc1
InChIInChI=1S/C25H20N4O3/c30-24(15-14-19-16-26-21-11-5-6-12-22(21)27-19)28-29-25(31)17-32-23-13-7-4-10-20(23)18-8-2-1-3-9-18/h1-16H,17H2,(H,28,30)(H,29,31)/b15-14+
InChIKeyYHWUQWPXBABPFG-CCEZHUSRSA-N
MW424.46 g/mol
LogP3.54
Rot. Bonds6

About (E)-N'-[2-(2-phenylphenoxy)acetyl]-3-quinoxalin-2-ylprop-2-enehydrazide

(E)-N'-[2-(2-phenylphenoxy)acetyl]-3-quinoxalin-2-ylprop-2-enehydrazide (PubChem CID 26840468) has the molecular formula C25H20N4O3 and a molecular weight of 424.46 g/mol. Its IUPAC name is (E)-N'-[2-(2-phenylphenoxy)acetyl]-3-quinoxalin-2-ylprop-2-enehydrazide.

Molecular Properties

Compound Name(E)-N'-[2-(2-phenylphenoxy)acetyl]-3-quinoxalin-2-ylprop-2-enehydrazide
PubChem CID26840468
Molecular FormulaC25H20N4O3
Molecular Weight424.46 g/mol
Exact Mass424.15
IUPAC Name(E)-N'-[2-(2-phenylphenoxy)acetyl]-3-quinoxalin-2-ylprop-2-enehydrazide
SMILESO=C(/C=C/c1cnc2ccccc2n1)NNC(=O)COc1ccccc1-c1ccccc1
InChIInChI=1S/C25H20N4O3/c30-24(15-14-19-16-26-21-11-5-6-12-22(21)27-19)28-29-25(31)17-32-23-13-7-4-10-20(23)18-8-2-1-3-9-18/h1-16H,17H2,(H,28,30)(H,29,31)/b15-14+
InChIKeyYHWUQWPXBABPFG-CCEZHUSRSA-N
XLogP3.54
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-phenyl-N'-[2-(2-phenylphenoxy)acetyl]prop-2-enehydrazide
CID 5088874
3-naphthalen-1-yl-N'-[2-(2-phenylphenoxy)acetyl]prop-2-enehydrazide
CID 5089375
(E)-3-(2-bromophenyl)-N'-[2-(2-phenylphenoxy)acetyl]prop-2-enehydrazide
CID 26840564
(E)-3-(4-nitrophenyl)-N'-[2-(2-phenylphenoxy)acetyl]prop-2-enehydrazide
CID 6182233
1-N',4-N'-bis[2-(2-phenylphenoxy)acetyl]benzene-1,4-dicarbohydrazide
CID 3554709
N'-acetyl-2-(2-phenylphenoxy)acetohydrazide
CID 922584
(E)-N-(2-ethoxyphenyl)-3-quinoxalin-2-ylprop-2-enamide
CID 17444738
3-naphthalen-1-yl-N-[[[2-(2-phenylphenoxy)acetyl]amino]carbamothioyl]prop-2-enamide
CID 3514149
2-(2-methylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
CID 5089372
(E)-N-(1-hydroxypropan-2-yl)-3-quinoxalin-2-ylprop-2-enamide
CID 78857543
(E)-N-propyl-3-quinoxalin-2-ylprop-2-enamide
CID 29292325
N-prop-2-enyl-3-quinoxalin-2-ylprop-2-enamide
CID 4883206

Frequently Asked Questions

What is the IUPAC name of (E)-N'-[2-(2-phenylphenoxy)acetyl]-3-quinoxalin-2-ylprop-2-enehydrazide?
The IUPAC name of (E)-N'-[2-(2-phenylphenoxy)acetyl]-3-quinoxalin-2-ylprop-2-enehydrazide (CID 26840468) is (E)-N'-[2-(2-phenylphenoxy)acetyl]-3-quinoxalin-2-ylprop-2-enehydrazide.
What is the SMILES notation for (E)-N'-[2-(2-phenylphenoxy)acetyl]-3-quinoxalin-2-ylprop-2-enehydrazide?
The canonical SMILES for (E)-N'-[2-(2-phenylphenoxy)acetyl]-3-quinoxalin-2-ylprop-2-enehydrazide is O=C(/C=C/c1cnc2ccccc2n1)NNC(=O)COc1ccccc1-c1ccccc1.
What is the InChIKey of (E)-N'-[2-(2-phenylphenoxy)acetyl]-3-quinoxalin-2-ylprop-2-enehydrazide?
The InChIKey is YHWUQWPXBABPFG-CCEZHUSRSA-N. The full InChI is InChI=1S/C25H20N4O3/c30-24(15-14-19-16-26-21-11-5-6-12-22(21)27-19)28-29-25(31)17-32-23-13-7-4-10-20(23)18-8-2-1-3-9-18/h1-16H,17H2,(H,28,30)(H,29,31)/b15-14+.
What are the key properties of (E)-N'-[2-(2-phenylphenoxy)acetyl]-3-quinoxalin-2-ylprop-2-enehydrazide?
(E)-N'-[2-(2-phenylphenoxy)acetyl]-3-quinoxalin-2-ylprop-2-enehydrazide has a molecular weight of 424.46 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-[2-(2-phenylphenoxy)acetyl]-3-quinoxalin-2-ylprop-2-enehydrazide is sourced from PubChem (CID 26840468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).