[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate

C24H26N2O4 — CID 8536017

IUPAC[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate
SMILESCC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)Cc1ccc2c(c1)CCCC2
InChIInChI=1S/C24H26N2O4/c1-24(2)23(29)25-19-9-5-6-10-20(19)26(24)21(27)15-30-22(28)14-16-11-12-17-7-3-4-8-18(17)13-16/h5-6,9-13H,3-4,7-8,14-15H2,1-2H3,(H,25,29)
InChIKeyQVFYFYRLLZVGKE-UHFFFAOYSA-N
MW406.48 g/mol
LogP3.41
Rot. Bonds4

About [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate

[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate (PubChem CID 8536017) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate.

Molecular Properties

Compound Name[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate
PubChem CID8536017
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Name[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate
SMILESCC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)Cc1ccc2c(c1)CCCC2
InChIInChI=1S/C24H26N2O4/c1-24(2)23(29)25-19-9-5-6-10-20(19)26(24)21(27)15-30-22(28)14-16-11-12-17-7-3-4-8-18(17)13-16/h5-6,9-13H,3-4,7-8,14-15H2,1-2H3,(H,25,29)
InChIKeyQVFYFYRLLZVGKE-UHFFFAOYSA-N
XLogP3.41
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate?
The IUPAC name of [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate (CID 8536017) is [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate.
What is the SMILES notation for [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate?
The canonical SMILES for [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate is CC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)Cc1ccc2c(c1)CCCC2.
What is the InChIKey of [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate?
The InChIKey is QVFYFYRLLZVGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-24(2)23(29)25-19-9-5-6-10-20(19)26(24)21(27)15-30-22(28)14-16-11-12-17-7-3-4-8-18(17)13-16/h5-6,9-13H,3-4,7-8,14-15H2,1-2H3,(H,25,29).
What are the key properties of [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate?
[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate has a molecular weight of 406.48 g/mol, XLogP of 3.41, 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-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate is sourced from PubChem (CID 8536017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).