tert-butyl 3-(quinoxalin-2-yloxymethyl)pyrrolidine-1-carboxylate

C18H23N3O3 — CID 71630298

IUPACtert-butyl 3-(quinoxalin-2-yloxymethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(COc2cnc3ccccc3n2)C1
InChIInChI=1S/C18H23N3O3/c1-18(2,3)24-17(22)21-9-8-13(11-21)12-23-16-10-19-14-6-4-5-7-15(14)20-16/h4-7,10,13H,8-9,11-12H2,1-3H3
InChIKeyLOQCIIHSJCLRNK-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.27
Rot. Bonds3

About tert-butyl 3-(quinoxalin-2-yloxymethyl)pyrrolidine-1-carboxylate

tert-butyl 3-(quinoxalin-2-yloxymethyl)pyrrolidine-1-carboxylate (PubChem CID 71630298) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is tert-butyl 3-(quinoxalin-2-yloxymethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(quinoxalin-2-yloxymethyl)pyrrolidine-1-carboxylate
PubChem CID71630298
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Nametert-butyl 3-(quinoxalin-2-yloxymethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(COc2cnc3ccccc3n2)C1
InChIInChI=1S/C18H23N3O3/c1-18(2,3)24-17(22)21-9-8-13(11-21)12-23-16-10-19-14-6-4-5-7-15(14)20-16/h4-7,10,13H,8-9,11-12H2,1-3H3
InChIKeyLOQCIIHSJCLRNK-UHFFFAOYSA-N
XLogP3.27
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (3S)-3-(2-quinoxalin-2-yloxyethyl)piperidine-1-carboxylate
CID 97172159
tert-butyl 3-(1,3-benzothiazol-2-yloxymethyl)pyrrolidine-1-carboxylate
CID 71630335
tert-butyl 2-(quinoxalin-2-yloxymethyl)pyrrolidine-1-carboxylate
CID 71631412
tert-butyl 3-[(5-amino-2-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate
CID 118278679
tert-butyl (3S)-3-[(3-methoxyquinoxalin-2-yl)oxymethyl]piperidine-1-carboxylate
CID 97168352
tert-butyl (3R)-3-[methyl(quinoxalin-2-yl)amino]pyrrolidine-1-carboxylate
CID 71646691
tert-butyl 3-[(2-methylphenoxy)methyl]pyrrolidine-1-carboxylate
CID 24902814
tert-butyl (3R)-3-[(quinoxalin-2-ylamino)methyl]piperidine-1-carboxylate
CID 95929019
tert-butyl 3-[(2-chlorophenoxy)methyl]pyrrolidine-1-carboxylate
CID 24902815
tert-butyl 3-[(6-methyl-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate
CID 24902735
tert-butyl 3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidine-1-carboxylate
CID 24902819
tert-butyl (3R)-3-[[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]oxymethyl]pyrrolidine-1-carboxylate
CID 97171346

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(quinoxalin-2-yloxymethyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(quinoxalin-2-yloxymethyl)pyrrolidine-1-carboxylate (CID 71630298) is tert-butyl 3-(quinoxalin-2-yloxymethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(quinoxalin-2-yloxymethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(quinoxalin-2-yloxymethyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(COc2cnc3ccccc3n2)C1.
What is the InChIKey of tert-butyl 3-(quinoxalin-2-yloxymethyl)pyrrolidine-1-carboxylate?
The InChIKey is LOQCIIHSJCLRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-18(2,3)24-17(22)21-9-8-13(11-21)12-23-16-10-19-14-6-4-5-7-15(14)20-16/h4-7,10,13H,8-9,11-12H2,1-3H3.
What are the key properties of tert-butyl 3-(quinoxalin-2-yloxymethyl)pyrrolidine-1-carboxylate?
tert-butyl 3-(quinoxalin-2-yloxymethyl)pyrrolidine-1-carboxylate has a molecular weight of 329.40 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(quinoxalin-2-yloxymethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 71630298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).