4-[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]-1,3-dihydroquinoxalin-2-one

C20H20N2O4 — CID 26860602

IUPAC4-[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]-1,3-dihydroquinoxalin-2-one
SMILESC=CCc1ccc(OCC(=O)N2CC(=O)Nc3ccccc32)c(OC)c1
InChIInChI=1S/C20H20N2O4/c1-3-6-14-9-10-17(18(11-14)25-2)26-13-20(24)22-12-19(23)21-15-7-4-5-8-16(15)22/h3-5,7-11H,1,6,12-13H2,2H3,(H,21,23)
InChIKeyRXFZCWFNDCQYGX-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.79
Rot. Bonds6

About 4-[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]-1,3-dihydroquinoxalin-2-one

4-[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 26860602) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 4-[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]-1,3-dihydroquinoxalin-2-one
PubChem CID26860602
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name4-[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]-1,3-dihydroquinoxalin-2-one
SMILESC=CCc1ccc(OCC(=O)N2CC(=O)Nc3ccccc32)c(OC)c1
InChIInChI=1S/C20H20N2O4/c1-3-6-14-9-10-17(18(11-14)25-2)26-13-20(24)22-12-19(23)21-15-7-4-5-8-16(15)22/h3-5,7-11H,1,6,12-13H2,2H3,(H,21,23)
InChIKeyRXFZCWFNDCQYGX-UHFFFAOYSA-N
XLogP2.79
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(2-ethoxyphenoxy)acetyl]-1,3-dihydroquinoxalin-2-one
CID 26860466
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(2-methoxyphenoxy)acetate
CID 7854017
4-[2-(3-fluoro-4-methoxyphenyl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 17462364
13-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-one
CID 75390682
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 3902357
4-[2-(2,4,6-trimethylphenoxy)acetyl]-1,3-dihydroquinoxalin-2-one
CID 26860757
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2,5-dimethoxybenzoate
CID 7561082
N-[2-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethoxy]phenyl]acetamide
CID 2411041
2-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethoxy]benzonitrile
CID 2706735
1-(2,3-dimethylpiperazin-1-yl)-2-(2-methoxy-4-prop-2-enylphenoxy)ethanone;hydrochloride
CID 120570765
4-[2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]-1,3-dihydroquinoxalin-2-one
CID 8563603
1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-(2-methoxy-4-prop-2-enylphenoxy)ethanone
CID 60552901

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]-1,3-dihydroquinoxalin-2-one (CID 26860602) is 4-[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]-1,3-dihydroquinoxalin-2-one is C=CCc1ccc(OCC(=O)N2CC(=O)Nc3ccccc32)c(OC)c1.
What is the InChIKey of 4-[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is RXFZCWFNDCQYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-3-6-14-9-10-17(18(11-14)25-2)26-13-20(24)22-12-19(23)21-15-7-4-5-8-16(15)22/h3-5,7-11H,1,6,12-13H2,2H3,(H,21,23).
What are the key properties of 4-[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]-1,3-dihydroquinoxalin-2-one?
4-[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 352.39 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 26860602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).