2-(2,3-dioxo-4-prop-2-enylquinoxalin-1-yl)-N-[(3-fluorophenyl)methyl]acetamide

C20H18FN3O3 — CID 50802505

IUPAC2-(2,3-dioxo-4-prop-2-enylquinoxalin-1-yl)-N-[(3-fluorophenyl)methyl]acetamide
SMILESC=CCn1c(=O)c(=O)n(CC(=O)NCc2cccc(F)c2)c2ccccc21
InChIInChI=1S/C20H18FN3O3/c1-2-10-23-16-8-3-4-9-17(16)24(20(27)19(23)26)13-18(25)22-12-14-6-5-7-15(21)11-14/h2-9,11H,1,10,12-13H2,(H,22,25)
InChIKeyBXSXRWBIHHFPAQ-UHFFFAOYSA-N
MW367.38 g/mol
LogP1.80
Rot. Bonds6

About 2-(2,3-dioxo-4-prop-2-enylquinoxalin-1-yl)-N-[(3-fluorophenyl)methyl]acetamide

2-(2,3-dioxo-4-prop-2-enylquinoxalin-1-yl)-N-[(3-fluorophenyl)methyl]acetamide (PubChem CID 50802505) has the molecular formula C20H18FN3O3 and a molecular weight of 367.38 g/mol. Its IUPAC name is 2-(2,3-dioxo-4-prop-2-enylquinoxalin-1-yl)-N-[(3-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dioxo-4-prop-2-enylquinoxalin-1-yl)-N-[(3-fluorophenyl)methyl]acetamide
PubChem CID50802505
Molecular FormulaC20H18FN3O3
Molecular Weight367.38 g/mol
Exact Mass367.13
IUPAC Name2-(2,3-dioxo-4-prop-2-enylquinoxalin-1-yl)-N-[(3-fluorophenyl)methyl]acetamide
SMILESC=CCn1c(=O)c(=O)n(CC(=O)NCc2cccc(F)c2)c2ccccc21
InChIInChI=1S/C20H18FN3O3/c1-2-10-23-16-8-3-4-9-17(16)24(20(27)19(23)26)13-18(25)22-12-14-6-5-7-15(21)11-14/h2-9,11H,1,10,12-13H2,(H,22,25)
InChIKeyBXSXRWBIHHFPAQ-UHFFFAOYSA-N
XLogP1.80
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2,3-dioxo-4-prop-2-enylquinoxalin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 50802507
2-(2,3-dioxo-4-prop-2-enylquinoxalin-1-yl)-N-[(3-methylphenyl)methyl]acetamide
CID 50802468
3-(2,3-dioxo-4-prop-2-enylquinoxalin-1-yl)-N-[(3-methylphenyl)methyl]propanamide
CID 50815573
N-[(3-fluorophenyl)methyl]-3-(4-methyl-2,3-dioxoquinoxalin-1-yl)propanamide
CID 50815571
N-[(4-fluorophenyl)methyl]-2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]acetamide
CID 7887005
3-(2,3-dioxo-4-prop-2-enylquinoxalin-1-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 50815635
4-[(2,3-dioxo-4-prop-2-enylquinoxalin-1-yl)methyl]-N-[(3-methylphenyl)methyl]benzamide
CID 50817079
2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-[(3-fluorophenyl)methyl]acetamide
CID 55576879
2-(2,4-dioxoquinazolin-1-yl)-N-[2-(3-fluorophenyl)ethyl]acetamide
CID 17425530
4-[(2,3-dioxo-4-prop-2-enylquinoxalin-1-yl)methyl]-N-[(3-methoxyphenyl)methyl]benzamide
CID 50817177
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-2-(2,3-dioxo-4-prop-2-enylquinoxalin-1-yl)acetamide
CID 50802552
N-[(4-chlorophenyl)methyl]-2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]acetamide
CID 7886969

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dioxo-4-prop-2-enylquinoxalin-1-yl)-N-[(3-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(2,3-dioxo-4-prop-2-enylquinoxalin-1-yl)-N-[(3-fluorophenyl)methyl]acetamide (CID 50802505) is 2-(2,3-dioxo-4-prop-2-enylquinoxalin-1-yl)-N-[(3-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(2,3-dioxo-4-prop-2-enylquinoxalin-1-yl)-N-[(3-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(2,3-dioxo-4-prop-2-enylquinoxalin-1-yl)-N-[(3-fluorophenyl)methyl]acetamide is C=CCn1c(=O)c(=O)n(CC(=O)NCc2cccc(F)c2)c2ccccc21.
What is the InChIKey of 2-(2,3-dioxo-4-prop-2-enylquinoxalin-1-yl)-N-[(3-fluorophenyl)methyl]acetamide?
The InChIKey is BXSXRWBIHHFPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3/c1-2-10-23-16-8-3-4-9-17(16)24(20(27)19(23)26)13-18(25)22-12-14-6-5-7-15(21)11-14/h2-9,11H,1,10,12-13H2,(H,22,25).
What are the key properties of 2-(2,3-dioxo-4-prop-2-enylquinoxalin-1-yl)-N-[(3-fluorophenyl)methyl]acetamide?
2-(2,3-dioxo-4-prop-2-enylquinoxalin-1-yl)-N-[(3-fluorophenyl)methyl]acetamide has a molecular weight of 367.38 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dioxo-4-prop-2-enylquinoxalin-1-yl)-N-[(3-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 50802505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).