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

C21H24N2O5 — CID 2997785

IUPAC[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-hydroxyadamantane-1-carboxylate
SMILESO=C1CN(C(=O)COC(=O)C23CC4CC(CC(O)(C4)C2)C3)c2ccccc2N1
InChIInChI=1S/C21H24N2O5/c24-17-10-23(16-4-2-1-3-15(16)22-17)18(25)11-28-19(26)20-6-13-5-14(7-20)9-21(27,8-13)12-20/h1-4,13-14,27H,5-12H2,(H,22,24)
InChIKeyUWIJJCIURNMGJO-UHFFFAOYSA-N
MW384.43 g/mol
LogP1.85
Rot. Bonds3

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

[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-hydroxyadamantane-1-carboxylate (PubChem CID 2997785) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-hydroxyadamantane-1-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-hydroxyadamantane-1-carboxylate
PubChem CID2997785
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Name[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-hydroxyadamantane-1-carboxylate
SMILESO=C1CN(C(=O)COC(=O)C23CC4CC(CC(O)(C4)C2)C3)c2ccccc2N1
InChIInChI=1S/C21H24N2O5/c24-17-10-23(16-4-2-1-3-15(16)22-17)18(25)11-28-19(26)20-6-13-5-14(7-20)9-21(27,8-13)12-20/h1-4,13-14,27H,5-12H2,(H,22,24)
InChIKeyUWIJJCIURNMGJO-UHFFFAOYSA-N
XLogP1.85
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-hydroxyadamantane-1-carboxylate?
The IUPAC name of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-hydroxyadamantane-1-carboxylate (CID 2997785) is [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-hydroxyadamantane-1-carboxylate.
What is the SMILES notation for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-hydroxyadamantane-1-carboxylate?
The canonical SMILES for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-hydroxyadamantane-1-carboxylate is O=C1CN(C(=O)COC(=O)C23CC4CC(CC(O)(C4)C2)C3)c2ccccc2N1.
What is the InChIKey of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-hydroxyadamantane-1-carboxylate?
The InChIKey is UWIJJCIURNMGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c24-17-10-23(16-4-2-1-3-15(16)22-17)18(25)11-28-19(26)20-6-13-5-14(7-20)9-21(27,8-13)12-20/h1-4,13-14,27H,5-12H2,(H,22,24).
What are the key properties of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-hydroxyadamantane-1-carboxylate?
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-hydroxyadamantane-1-carboxylate has a molecular weight of 384.43 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-hydroxyadamantane-1-carboxylate is sourced from PubChem (CID 2997785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).