tert-butyl N-[(3R)-1-(3-methoxyquinoxalin-2-yl)pyrrolidin-3-yl]carbamate

C18H24N4O3 — CID 71648476

IUPACtert-butyl N-[(3R)-1-(3-methoxyquinoxalin-2-yl)pyrrolidin-3-yl]carbamate
SMILESCOc1nc2ccccc2nc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H24N4O3/c1-18(2,3)25-17(23)19-12-9-10-22(11-12)15-16(24-4)21-14-8-6-5-7-13(14)20-15/h5-8,12H,9-11H2,1-4H3,(H,19,23)/t12-/m1/s1
InChIKeyGIJWYTCCYJQXJI-GFCCVEGCSA-N
MW344.42 g/mol
LogP2.74
Rot. Bonds3

About tert-butyl N-[(3R)-1-(3-methoxyquinoxalin-2-yl)pyrrolidin-3-yl]carbamate

tert-butyl N-[(3R)-1-(3-methoxyquinoxalin-2-yl)pyrrolidin-3-yl]carbamate (PubChem CID 71648476) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is tert-butyl N-[(3R)-1-(3-methoxyquinoxalin-2-yl)pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-1-(3-methoxyquinoxalin-2-yl)pyrrolidin-3-yl]carbamate
PubChem CID71648476
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Nametert-butyl N-[(3R)-1-(3-methoxyquinoxalin-2-yl)pyrrolidin-3-yl]carbamate
SMILESCOc1nc2ccccc2nc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H24N4O3/c1-18(2,3)25-17(23)19-12-9-10-22(11-12)15-16(24-4)21-14-8-6-5-7-13(14)20-15/h5-8,12H,9-11H2,1-4H3,(H,19,23)/t12-/m1/s1
InChIKeyGIJWYTCCYJQXJI-GFCCVEGCSA-N
XLogP2.74
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[(3R)-1-(3-methoxyquinoxalin-2-yl)pyrrolidin-3-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[1-(3-methylquinoxalin-2-yl)pyrrolidin-3-yl]carbamate
CID 133293160
tert-butyl N-[(3R)-1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]carbamate
CID 125461656
tert-butyl N-[1-(3-cyanoquinolin-2-yl)pyrrolidin-3-yl]carbamate
CID 77496249
tert-butyl N-[1-(1H-benzimidazol-2-yl)pyrrolidin-3-yl]carbamate
CID 71632096
tert-butyl N-(1-quinoxalin-2-ylpiperidin-4-yl)carbamate
CID 71632141
1-(3-methoxyquinoxalin-2-yl)-N-methylpiperidin-4-amine;hydrochloride
CID 71642824
tert-butyl N-[1-(4-hydroxyphenyl)pyrrolidin-3-yl]carbamate
CID 142553553
tert-butyl N-[(3S)-1-pyridin-3-ylpyrrolidin-3-yl]carbamate
CID 131747678
tert-butyl N-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]carbamate
CID 71632159
N-cyclohexyl-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752597
tert-butyl N-[(3S)-1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-yl]carbamate
CID 97174166
tert-butyl N-[1-[8-(trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-yl]pyrrolidin-3-yl]carbamate
CID 155741652

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-1-(3-methoxyquinoxalin-2-yl)pyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R)-1-(3-methoxyquinoxalin-2-yl)pyrrolidin-3-yl]carbamate (CID 71648476) is tert-butyl N-[(3R)-1-(3-methoxyquinoxalin-2-yl)pyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R)-1-(3-methoxyquinoxalin-2-yl)pyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R)-1-(3-methoxyquinoxalin-2-yl)pyrrolidin-3-yl]carbamate is COc1nc2ccccc2nc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[(3R)-1-(3-methoxyquinoxalin-2-yl)pyrrolidin-3-yl]carbamate?
The InChIKey is GIJWYTCCYJQXJI-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-18(2,3)25-17(23)19-12-9-10-22(11-12)15-16(24-4)21-14-8-6-5-7-13(14)20-15/h5-8,12H,9-11H2,1-4H3,(H,19,23)/t12-/m1/s1.
What are the key properties of tert-butyl N-[(3R)-1-(3-methoxyquinoxalin-2-yl)pyrrolidin-3-yl]carbamate?
tert-butyl N-[(3R)-1-(3-methoxyquinoxalin-2-yl)pyrrolidin-3-yl]carbamate has a molecular weight of 344.42 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-1-(3-methoxyquinoxalin-2-yl)pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 71648476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).