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

C18H23N3O3 — CID 71631412

IUPACtert-butyl 2-(quinoxalin-2-yloxymethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1COc1cnc2ccccc2n1
InChIInChI=1S/C18H23N3O3/c1-18(2,3)24-17(22)21-10-6-7-13(21)12-23-16-11-19-14-8-4-5-9-15(14)20-16/h4-5,8-9,11,13H,6-7,10,12H2,1-3H3
InChIKeyIWGRXFCCERTZHD-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.41
Rot. Bonds3

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

tert-butyl 2-(quinoxalin-2-yloxymethyl)pyrrolidine-1-carboxylate (PubChem CID 71631412) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is tert-butyl 2-(quinoxalin-2-yloxymethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(quinoxalin-2-yloxymethyl)pyrrolidine-1-carboxylate
PubChem CID71631412
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Nametert-butyl 2-(quinoxalin-2-yloxymethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1COc1cnc2ccccc2n1
InChIInChI=1S/C18H23N3O3/c1-18(2,3)24-17(22)21-10-6-7-13(21)12-23-16-11-19-14-8-4-5-9-15(14)20-16/h4-5,8-9,11,13H,6-7,10,12H2,1-3H3
InChIKeyIWGRXFCCERTZHD-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (2S)-2-[(3-ethoxyquinoxalin-2-yl)oxymethyl]pyrrolidine-1-carboxylate
CID 97177764
tert-butyl (2R)-2-[(3-ethoxyquinoxalin-2-yl)oxymethyl]pyrrolidine-1-carboxylate
CID 97177765
tert-butyl (2R)-2-[(6-bromo-2-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate
CID 86329405
tert-butyl 2-(quinoxalin-2-ylsulfonylmethyl)pyrrolidine-1-carboxylate
CID 71631465
tert-butyl (2R)-2-(quinoxalin-2-ylsulfonylmethyl)pyrrolidine-1-carboxylate
CID 97172970
tert-butyl (2S)-2-[(3-methoxyquinoxalin-2-yl)oxymethyl]piperidine-1-carboxylate
CID 97168351
tert-butyl 2-(1H-benzimidazol-2-yloxymethyl)pyrrolidine-1-carboxylate
CID 71631416
tert-butyl 3-(quinoxalin-2-yloxymethyl)pyrrolidine-1-carboxylate
CID 71630298
tert-butyl (2S)-2-[(5-bromo-2-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate
CID 97172833
tert-butyl 2-[[5-(trifluoromethyl)pyrazin-2-yl]oxymethyl]pyrrolidine-1-carboxylate;ethane
CID 170977473
tert-butyl 2-[(2-chloropyrimidin-4-yl)oxymethyl]piperidine-1-carboxylate
CID 71631756
tert-butyl (2R)-2-[[5-[hydroxy(phenyl)methyl]-2-pyridinyl]oxymethyl]pyrrolidine-1-carboxylate
CID 68998657

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(quinoxalin-2-yloxymethyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(quinoxalin-2-yloxymethyl)pyrrolidine-1-carboxylate (CID 71631412) is tert-butyl 2-(quinoxalin-2-yloxymethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(quinoxalin-2-yloxymethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(quinoxalin-2-yloxymethyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC1COc1cnc2ccccc2n1.
What is the InChIKey of tert-butyl 2-(quinoxalin-2-yloxymethyl)pyrrolidine-1-carboxylate?
The InChIKey is IWGRXFCCERTZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-18(2,3)24-17(22)21-10-6-7-13(21)12-23-16-11-19-14-8-4-5-9-15(14)20-16/h4-5,8-9,11,13H,6-7,10,12H2,1-3H3.
What are the key properties of tert-butyl 2-(quinoxalin-2-yloxymethyl)pyrrolidine-1-carboxylate?
tert-butyl 2-(quinoxalin-2-yloxymethyl)pyrrolidine-1-carboxylate has a molecular weight of 329.40 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(quinoxalin-2-yloxymethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 71631412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).