ethyl 2-[3-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoquinoxalin-1-yl]acetate

C20H20N4O4 — CID 51032665

IUPACethyl 2-[3-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoquinoxalin-1-yl]acetate
SMILESCCOC(=O)Cn1c(=O)c(N/N=C/c2ccccc2OC)nc2ccccc21
InChIInChI=1S/C20H20N4O4/c1-3-28-18(25)13-24-16-10-6-5-9-15(16)22-19(20(24)26)23-21-12-14-8-4-7-11-17(14)27-2/h4-12H,3,13H2,1-2H3,(H,22,23)/b21-12+
InChIKeyKUSDMNRQDJXCEA-CIAFOILYSA-N
MW380.40 g/mol
LogP2.41
Rot. Bonds7

About ethyl 2-[3-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoquinoxalin-1-yl]acetate

ethyl 2-[3-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoquinoxalin-1-yl]acetate (PubChem CID 51032665) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is ethyl 2-[3-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoquinoxalin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoquinoxalin-1-yl]acetate
PubChem CID51032665
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC Nameethyl 2-[3-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoquinoxalin-1-yl]acetate
SMILESCCOC(=O)Cn1c(=O)c(N/N=C/c2ccccc2OC)nc2ccccc21
InChIInChI=1S/C20H20N4O4/c1-3-28-18(25)13-24-16-10-6-5-9-15(16)22-19(20(24)26)23-21-12-14-8-4-7-11-17(14)27-2/h4-12H,3,13H2,1-2H3,(H,22,23)/b21-12+
InChIKeyKUSDMNRQDJXCEA-CIAFOILYSA-N
XLogP2.41
TPSA94.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoquinoxalin-1-yl]acetate?
The IUPAC name of ethyl 2-[3-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoquinoxalin-1-yl]acetate (CID 51032665) is ethyl 2-[3-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoquinoxalin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoquinoxalin-1-yl]acetate?
The canonical SMILES for ethyl 2-[3-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoquinoxalin-1-yl]acetate is CCOC(=O)Cn1c(=O)c(N/N=C/c2ccccc2OC)nc2ccccc21.
What is the InChIKey of ethyl 2-[3-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoquinoxalin-1-yl]acetate?
The InChIKey is KUSDMNRQDJXCEA-CIAFOILYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-3-28-18(25)13-24-16-10-6-5-9-15(16)22-19(20(24)26)23-21-12-14-8-4-7-11-17(14)27-2/h4-12H,3,13H2,1-2H3,(H,22,23)/b21-12+.
What are the key properties of ethyl 2-[3-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoquinoxalin-1-yl]acetate?
ethyl 2-[3-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoquinoxalin-1-yl]acetate has a molecular weight of 380.40 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoquinoxalin-1-yl]acetate is sourced from PubChem (CID 51032665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).