[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(2-fluorophenyl)acetate

C20H19FN2O4 — CID 4788668

IUPAC[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(2-fluorophenyl)acetate
SMILESCC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)Cc1ccccc1F
InChIInChI=1S/C20H19FN2O4/c1-20(2)19(26)22-15-9-5-6-10-16(15)23(20)17(24)12-27-18(25)11-13-7-3-4-8-14(13)21/h3-10H,11-12H2,1-2H3,(H,22,26)
InChIKeyKOFXCNSHSJISSQ-UHFFFAOYSA-N
MW370.38 g/mol
LogP2.68
Rot. Bonds4

About [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(2-fluorophenyl)acetate

[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(2-fluorophenyl)acetate (PubChem CID 4788668) has the molecular formula C20H19FN2O4 and a molecular weight of 370.38 g/mol. Its IUPAC name is [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(2-fluorophenyl)acetate.

Molecular Properties

Compound Name[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(2-fluorophenyl)acetate
PubChem CID4788668
Molecular FormulaC20H19FN2O4
Molecular Weight370.38 g/mol
Exact Mass370.13
IUPAC Name[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(2-fluorophenyl)acetate
SMILESCC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)Cc1ccccc1F
InChIInChI=1S/C20H19FN2O4/c1-20(2)19(26)22-15-9-5-6-10-16(15)23(20)17(24)12-27-18(25)11-13-7-3-4-8-14(13)21/h3-10H,11-12H2,1-2H3,(H,22,26)
InChIKeyKOFXCNSHSJISSQ-UHFFFAOYSA-N
XLogP2.68
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,4-Difluoroanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2380295
[2-(3-Fluoroanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2425033
[2-Oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-phenylacetate
CID 3571140
{4-[4-(2-Ethyl-butyrylamino)-2-fluoro-phenyl]-piperazin-1-yl}-phenyl-acetic acid methyl ester
CID 16667331
[2-Oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(2-fluorophenyl)acetate
CID 3615558
[2-Oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-phenylpropanoate
CID 4023849
[2-Oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 4024380
[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
CID 4787552
4-Fluoro-benzoic acid (2-morpholin-4-yl-phenylcarbamoyl)-methyl ester
CID 1089230
[2-(4-Fluoroanilino)-2-oxoethyl] 2-phenylacetate
CID 2335247
[2-Oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-methylbenzoate
CID 2592990
[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 4-(4-methylphenyl)-4-oxobutanoate
CID 4855616

Frequently Asked Questions

What is the IUPAC name of [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(2-fluorophenyl)acetate?
The IUPAC name of [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(2-fluorophenyl)acetate (CID 4788668) is [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(2-fluorophenyl)acetate.
What is the SMILES notation for [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(2-fluorophenyl)acetate?
The canonical SMILES for [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(2-fluorophenyl)acetate is CC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)Cc1ccccc1F.
What is the InChIKey of [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(2-fluorophenyl)acetate?
The InChIKey is KOFXCNSHSJISSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O4/c1-20(2)19(26)22-15-9-5-6-10-16(15)23(20)17(24)12-27-18(25)11-13-7-3-4-8-14(13)21/h3-10H,11-12H2,1-2H3,(H,22,26).
What are the key properties of [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(2-fluorophenyl)acetate?
[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(2-fluorophenyl)acetate has a molecular weight of 370.38 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(2-fluorophenyl)acetate is sourced from PubChem (CID 4788668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).