(3,3-dimethyl-2-oxobutyl) 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate

C18H22N2O4 — CID 7990724

IUPAC(3,3-dimethyl-2-oxobutyl) 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
SMILESCCn1c(=O)c(C)nc2cc(C(=O)OCC(=O)C(C)(C)C)ccc21
InChIInChI=1S/C18H22N2O4/c1-6-20-14-8-7-12(9-13(14)19-11(2)16(20)22)17(23)24-10-15(21)18(3,4)5/h7-9H,6,10H2,1-5H3
InChIKeySDLAIETYWRSEOB-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.50
Rot. Bonds4

About (3,3-dimethyl-2-oxobutyl) 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate

(3,3-dimethyl-2-oxobutyl) 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate (PubChem CID 7990724) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is (3,3-dimethyl-2-oxobutyl) 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate.

Molecular Properties

Compound Name(3,3-dimethyl-2-oxobutyl) 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
PubChem CID7990724
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name(3,3-dimethyl-2-oxobutyl) 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
SMILESCCn1c(=O)c(C)nc2cc(C(=O)OCC(=O)C(C)(C)C)ccc21
InChIInChI=1S/C18H22N2O4/c1-6-20-14-8-7-12(9-13(14)19-11(2)16(20)22)17(23)24-10-15(21)18(3,4)5/h7-9H,6,10H2,1-5H3
InChIKeySDLAIETYWRSEOB-UHFFFAOYSA-N
XLogP2.50
TPSA78.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3,3-dimethyl-2-oxobutyl) 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate with MolForge

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Related Compounds

[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 8673815
1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylic acid
CID 4962182
[2-(4-ethoxyphenyl)-2-oxoethyl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 7991043
[2-(4-methylsulfanylphenyl)-2-oxoethyl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 32932722
[2-(2-methoxyethylamino)-2-oxoethyl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 7519039
[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 7519009
2-(4-methylphenoxy)ethyl 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 7519097
2-(4-methoxyphenoxy)ethyl 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 7990928
[2-(naphthalen-2-ylamino)-2-oxoethyl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 7518959
(2-fluorophenyl)methyl 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 7990718
3-oxobutan-2-yl 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 46819421
[2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 32932060

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethyl-2-oxobutyl) 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate?
The IUPAC name of (3,3-dimethyl-2-oxobutyl) 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate (CID 7990724) is (3,3-dimethyl-2-oxobutyl) 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate.
What is the SMILES notation for (3,3-dimethyl-2-oxobutyl) 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate?
The canonical SMILES for (3,3-dimethyl-2-oxobutyl) 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate is CCn1c(=O)c(C)nc2cc(C(=O)OCC(=O)C(C)(C)C)ccc21.
What is the InChIKey of (3,3-dimethyl-2-oxobutyl) 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate?
The InChIKey is SDLAIETYWRSEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-6-20-14-8-7-12(9-13(14)19-11(2)16(20)22)17(23)24-10-15(21)18(3,4)5/h7-9H,6,10H2,1-5H3.
What are the key properties of (3,3-dimethyl-2-oxobutyl) 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate?
(3,3-dimethyl-2-oxobutyl) 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate has a molecular weight of 330.38 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethyl-2-oxobutyl) 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate is sourced from PubChem (CID 7990724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).