[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-butylcyclohexane-1-carboxylate

C21H28N2O4 — CID 8009149

IUPAC[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-butylcyclohexane-1-carboxylate
SMILESCCCCC1CCC(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)CC1
InChIInChI=1S/C21H28N2O4/c1-2-3-6-15-9-11-16(12-10-15)21(26)27-14-20(25)23-13-19(24)22-17-7-4-5-8-18(17)23/h4-5,7-8,15-16H,2-3,6,9-14H2,1H3,(H,22,24)
InChIKeyYOIKREKOCOGDIZ-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.51
Rot. Bonds6

About [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-butylcyclohexane-1-carboxylate

[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-butylcyclohexane-1-carboxylate (PubChem CID 8009149) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-butylcyclohexane-1-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-butylcyclohexane-1-carboxylate
PubChem CID8009149
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-butylcyclohexane-1-carboxylate
SMILESCCCCC1CCC(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)CC1
InChIInChI=1S/C21H28N2O4/c1-2-3-6-15-9-11-16(12-10-15)21(26)27-14-20(25)23-13-19(24)22-17-7-4-5-8-18(17)23/h4-5,7-8,15-16H,2-3,6,9-14H2,1H3,(H,22,24)
InChIKeyYOIKREKOCOGDIZ-UHFFFAOYSA-N
XLogP3.51
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-butylcyclohexane-1-carboxylate with MolForge

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Related Compounds

trans-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 7776857
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate
CID 2571373
1-O-tert-butyl 2-O-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] (2S)-pyrrolidine-1,2-dicarboxylate
CID 11908664
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-hydroxy-2,2-diphenylacetate
CID 7191513
4-(3-cyclohexylpropanoyl)-1,3-dihydroquinoxalin-2-one
CID 26860756
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(4-methoxyphenoxy)acetate
CID 2438205
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(2-methoxyphenoxy)acetate
CID 7854017
4-[2-(2-ethoxyphenoxy)acetyl]-1,3-dihydroquinoxalin-2-one
CID 26860466
ethyl 1-[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]piperidin-1-ium-4-carboxylate
CID 8772961
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(4-fluorophenyl)acetate
CID 7758909
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 2634946
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 5-[(3S)-dithiolan-3-yl]pentanoate
CID 7963053

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-butylcyclohexane-1-carboxylate?
The IUPAC name of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-butylcyclohexane-1-carboxylate (CID 8009149) is [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-butylcyclohexane-1-carboxylate.
What is the SMILES notation for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-butylcyclohexane-1-carboxylate?
The canonical SMILES for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-butylcyclohexane-1-carboxylate is CCCCC1CCC(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)CC1.
What is the InChIKey of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-butylcyclohexane-1-carboxylate?
The InChIKey is YOIKREKOCOGDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4/c1-2-3-6-15-9-11-16(12-10-15)21(26)27-14-20(25)23-13-19(24)22-17-7-4-5-8-18(17)23/h4-5,7-8,15-16H,2-3,6,9-14H2,1H3,(H,22,24).
What are the key properties of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-butylcyclohexane-1-carboxylate?
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-butylcyclohexane-1-carboxylate has a molecular weight of 372.47 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-butylcyclohexane-1-carboxylate is sourced from PubChem (CID 8009149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).