2-methoxyethyl 2-[3-[bis(prop-2-enyl)amino]quinoxalin-2-yl]-2-cyanoacetate

C20H22N4O3 — CID 660819

IUPAC2-methoxyethyl 2-[3-[bis(prop-2-enyl)amino]quinoxalin-2-yl]-2-cyanoacetate
SMILESC=CCN(CC=C)c1nc2ccccc2nc1C(C#N)C(=O)OCCOC
InChIInChI=1S/C20H22N4O3/c1-4-10-24(11-5-2)19-18(15(14-21)20(25)27-13-12-26-3)22-16-8-6-7-9-17(16)23-19/h4-9,15H,1-2,10-13H2,3H3
InChIKeyACVMJYMVYNOSNH-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.60
Rot. Bonds10

About 2-methoxyethyl 2-[3-[bis(prop-2-enyl)amino]quinoxalin-2-yl]-2-cyanoacetate

2-methoxyethyl 2-[3-[bis(prop-2-enyl)amino]quinoxalin-2-yl]-2-cyanoacetate (PubChem CID 660819) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-methoxyethyl 2-[3-[bis(prop-2-enyl)amino]quinoxalin-2-yl]-2-cyanoacetate.

Molecular Properties

Compound Name2-methoxyethyl 2-[3-[bis(prop-2-enyl)amino]quinoxalin-2-yl]-2-cyanoacetate
PubChem CID660819
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name2-methoxyethyl 2-[3-[bis(prop-2-enyl)amino]quinoxalin-2-yl]-2-cyanoacetate
SMILESC=CCN(CC=C)c1nc2ccccc2nc1C(C#N)C(=O)OCCOC
InChIInChI=1S/C20H22N4O3/c1-4-10-24(11-5-2)19-18(15(14-21)20(25)27-13-12-26-3)22-16-8-6-7-9-17(16)23-19/h4-9,15H,1-2,10-13H2,3H3
InChIKeyACVMJYMVYNOSNH-UHFFFAOYSA-N
XLogP2.60
TPSA88.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 2-[3-[bis(prop-2-enyl)amino]quinoxalin-2-yl]-2-cyanoacetate?
The IUPAC name of 2-methoxyethyl 2-[3-[bis(prop-2-enyl)amino]quinoxalin-2-yl]-2-cyanoacetate (CID 660819) is 2-methoxyethyl 2-[3-[bis(prop-2-enyl)amino]quinoxalin-2-yl]-2-cyanoacetate.
What is the SMILES notation for 2-methoxyethyl 2-[3-[bis(prop-2-enyl)amino]quinoxalin-2-yl]-2-cyanoacetate?
The canonical SMILES for 2-methoxyethyl 2-[3-[bis(prop-2-enyl)amino]quinoxalin-2-yl]-2-cyanoacetate is C=CCN(CC=C)c1nc2ccccc2nc1C(C#N)C(=O)OCCOC.
What is the InChIKey of 2-methoxyethyl 2-[3-[bis(prop-2-enyl)amino]quinoxalin-2-yl]-2-cyanoacetate?
The InChIKey is ACVMJYMVYNOSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-4-10-24(11-5-2)19-18(15(14-21)20(25)27-13-12-26-3)22-16-8-6-7-9-17(16)23-19/h4-9,15H,1-2,10-13H2,3H3.
What are the key properties of 2-methoxyethyl 2-[3-[bis(prop-2-enyl)amino]quinoxalin-2-yl]-2-cyanoacetate?
2-methoxyethyl 2-[3-[bis(prop-2-enyl)amino]quinoxalin-2-yl]-2-cyanoacetate has a molecular weight of 366.42 g/mol, XLogP of 2.60, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 2-[3-[bis(prop-2-enyl)amino]quinoxalin-2-yl]-2-cyanoacetate is sourced from PubChem (CID 660819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).