tert-butyl 3-[[(3-methoxyquinoxalin-2-yl)-methylamino]methyl]pyrrolidine-1-carboxylate

C20H28N4O3 — CID 71648465

IUPACtert-butyl 3-[[(3-methoxyquinoxalin-2-yl)-methylamino]methyl]pyrrolidine-1-carboxylate
SMILESCOc1nc2ccccc2nc1N(C)CC1CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C20H28N4O3/c1-20(2,3)27-19(25)24-11-10-14(13-24)12-23(4)17-18(26-5)22-16-9-7-6-8-15(16)21-17/h6-9,14H,10-13H2,1-5H3
InChIKeyYLXOZFBTOUJBRX-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.33
Rot. Bonds4

About tert-butyl 3-[[(3-methoxyquinoxalin-2-yl)-methylamino]methyl]pyrrolidine-1-carboxylate

tert-butyl 3-[[(3-methoxyquinoxalin-2-yl)-methylamino]methyl]pyrrolidine-1-carboxylate (PubChem CID 71648465) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is tert-butyl 3-[[(3-methoxyquinoxalin-2-yl)-methylamino]methyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[(3-methoxyquinoxalin-2-yl)-methylamino]methyl]pyrrolidine-1-carboxylate
PubChem CID71648465
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Nametert-butyl 3-[[(3-methoxyquinoxalin-2-yl)-methylamino]methyl]pyrrolidine-1-carboxylate
SMILESCOc1nc2ccccc2nc1N(C)CC1CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C20H28N4O3/c1-20(2,3)27-19(25)24-11-10-14(13-24)12-23(4)17-18(26-5)22-16-9-7-6-8-15(16)21-17/h6-9,14H,10-13H2,1-5H3
InChIKeyYLXOZFBTOUJBRX-UHFFFAOYSA-N
XLogP3.33
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl (3R)-3-[[1,3-benzoxazol-2-yl(methyl)amino]methyl]pyrrolidine-1-carboxylate
CID 97167632
tert-butyl (3S)-3-[(3-methoxyquinoxalin-2-yl)oxymethyl]piperidine-1-carboxylate
CID 97168352
tert-butyl (3S)-3-[[(6-bromo-2-pyridinyl)-methylamino]methyl]pyrrolidine-1-carboxylate
CID 97167565
tert-butyl 3-[[(6-bromo-2-pyridinyl)-methylamino]methyl]pyrrolidine-1-carboxylate
CID 71647751
tert-butyl (3R)-3-[[(6-bromo-2-pyridinyl)-methylamino]methyl]pyrrolidine-1-carboxylate
CID 97167564
tert-butyl 3-(quinoxalin-2-yloxymethyl)pyrrolidine-1-carboxylate
CID 71630298
tert-butyl 3-[[(3-ethoxyquinoxalin-2-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 71635578
tert-butyl (3R)-3-(3-methoxyquinoxalin-2-yl)oxypiperidine-1-carboxylate
CID 71648506
tert-butyl (3S)-3-[[(3-methoxypyrazin-2-yl)methyl-methylamino]methyl]pyrrolidine-1-carboxylate
CID 97168249
tert-butyl 3-[[hydroxy(methyl)amino]methyl]pyrrolidine-1-carboxylate
CID 105488235
tert-butyl (3R)-3-[[[3-(methylamino)quinoxalin-2-yl]amino]methyl]pyrrolidine-1-carboxylate
CID 97167816
tert-butyl 3-(1,3-benzothiazol-2-yloxymethyl)pyrrolidine-1-carboxylate
CID 71630335

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[(3-methoxyquinoxalin-2-yl)-methylamino]methyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[[(3-methoxyquinoxalin-2-yl)-methylamino]methyl]pyrrolidine-1-carboxylate (CID 71648465) is tert-butyl 3-[[(3-methoxyquinoxalin-2-yl)-methylamino]methyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[[(3-methoxyquinoxalin-2-yl)-methylamino]methyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[[(3-methoxyquinoxalin-2-yl)-methylamino]methyl]pyrrolidine-1-carboxylate is COc1nc2ccccc2nc1N(C)CC1CCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[[(3-methoxyquinoxalin-2-yl)-methylamino]methyl]pyrrolidine-1-carboxylate?
The InChIKey is YLXOZFBTOUJBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-20(2,3)27-19(25)24-11-10-14(13-24)12-23(4)17-18(26-5)22-16-9-7-6-8-15(16)21-17/h6-9,14H,10-13H2,1-5H3.
What are the key properties of tert-butyl 3-[[(3-methoxyquinoxalin-2-yl)-methylamino]methyl]pyrrolidine-1-carboxylate?
tert-butyl 3-[[(3-methoxyquinoxalin-2-yl)-methylamino]methyl]pyrrolidine-1-carboxylate has a molecular weight of 372.47 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[(3-methoxyquinoxalin-2-yl)-methylamino]methyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 71648465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).