tert-butyl 1-cyclopropyl-4-[2-(2,2-dimethylpropylamino)acetyl]-2-oxo-3H-quinoxaline-6-carboxylate

C23H33N3O4 — CID 58748607

IUPACtert-butyl 1-cyclopropyl-4-[2-(2,2-dimethylpropylamino)acetyl]-2-oxo-3H-quinoxaline-6-carboxylate
SMILESCC(C)(C)CNCC(=O)N1CC(=O)N(C2CC2)c2ccc(C(=O)OC(C)(C)C)cc21
InChIInChI=1S/C23H33N3O4/c1-22(2,3)14-24-12-19(27)25-13-20(28)26(16-8-9-16)17-10-7-15(11-18(17)25)21(29)30-23(4,5)6/h7,10-11,16,24H,8-9,12-14H2,1-6H3
InChIKeyYOUMCQWURJJOLE-UHFFFAOYSA-N
MW415.53 g/mol
LogP3.12
Rot. Bonds5

About tert-butyl 1-cyclopropyl-4-[2-(2,2-dimethylpropylamino)acetyl]-2-oxo-3H-quinoxaline-6-carboxylate

tert-butyl 1-cyclopropyl-4-[2-(2,2-dimethylpropylamino)acetyl]-2-oxo-3H-quinoxaline-6-carboxylate (PubChem CID 58748607) has the molecular formula C23H33N3O4 and a molecular weight of 415.53 g/mol. Its IUPAC name is tert-butyl 1-cyclopropyl-4-[2-(2,2-dimethylpropylamino)acetyl]-2-oxo-3H-quinoxaline-6-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-cyclopropyl-4-[2-(2,2-dimethylpropylamino)acetyl]-2-oxo-3H-quinoxaline-6-carboxylate
PubChem CID58748607
Molecular FormulaC23H33N3O4
Molecular Weight415.53 g/mol
Exact Mass415.25
IUPAC Nametert-butyl 1-cyclopropyl-4-[2-(2,2-dimethylpropylamino)acetyl]-2-oxo-3H-quinoxaline-6-carboxylate
SMILESCC(C)(C)CNCC(=O)N1CC(=O)N(C2CC2)c2ccc(C(=O)OC(C)(C)C)cc21
InChIInChI=1S/C23H33N3O4/c1-22(2,3)14-24-12-19(27)25-13-20(28)26(16-8-9-16)17-10-7-15(11-18(17)25)21(29)30-23(4,5)6/h7,10-11,16,24H,8-9,12-14H2,1-6H3
InChIKeyYOUMCQWURJJOLE-UHFFFAOYSA-N
XLogP3.12
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.53
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-cyclopropyl-4-[2-(2,2-dimethylpropylamino)acetyl]-2-oxo-3H-quinoxaline-6-carboxylate?
The IUPAC name of tert-butyl 1-cyclopropyl-4-[2-(2,2-dimethylpropylamino)acetyl]-2-oxo-3H-quinoxaline-6-carboxylate (CID 58748607) is tert-butyl 1-cyclopropyl-4-[2-(2,2-dimethylpropylamino)acetyl]-2-oxo-3H-quinoxaline-6-carboxylate.
What is the SMILES notation for tert-butyl 1-cyclopropyl-4-[2-(2,2-dimethylpropylamino)acetyl]-2-oxo-3H-quinoxaline-6-carboxylate?
The canonical SMILES for tert-butyl 1-cyclopropyl-4-[2-(2,2-dimethylpropylamino)acetyl]-2-oxo-3H-quinoxaline-6-carboxylate is CC(C)(C)CNCC(=O)N1CC(=O)N(C2CC2)c2ccc(C(=O)OC(C)(C)C)cc21.
What is the InChIKey of tert-butyl 1-cyclopropyl-4-[2-(2,2-dimethylpropylamino)acetyl]-2-oxo-3H-quinoxaline-6-carboxylate?
The InChIKey is YOUMCQWURJJOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O4/c1-22(2,3)14-24-12-19(27)25-13-20(28)26(16-8-9-16)17-10-7-15(11-18(17)25)21(29)30-23(4,5)6/h7,10-11,16,24H,8-9,12-14H2,1-6H3.
What are the key properties of tert-butyl 1-cyclopropyl-4-[2-(2,2-dimethylpropylamino)acetyl]-2-oxo-3H-quinoxaline-6-carboxylate?
tert-butyl 1-cyclopropyl-4-[2-(2,2-dimethylpropylamino)acetyl]-2-oxo-3H-quinoxaline-6-carboxylate has a molecular weight of 415.53 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-cyclopropyl-4-[2-(2,2-dimethylpropylamino)acetyl]-2-oxo-3H-quinoxaline-6-carboxylate is sourced from PubChem (CID 58748607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).