tert-butyl pyrazino[2,1-a]isoquinoline-2-carboxylate

C17H18N2O2 — CID 141471372

IUPACtert-butyl pyrazino[2,1-a]isoquinoline-2-carboxylate
SMILESCC(C)(C)OC(=O)N1C=CN2C=Cc3ccccc3C2=C1
InChIInChI=1S/C17H18N2O2/c1-17(2,3)21-16(20)19-11-10-18-9-8-13-6-4-5-7-14(13)15(18)12-19/h4-12H,1-3H3
InChIKeyBUFWUESSFHUWCY-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.99
Rot. Bonds

About tert-butyl pyrazino[2,1-a]isoquinoline-2-carboxylate

tert-butyl pyrazino[2,1-a]isoquinoline-2-carboxylate (PubChem CID 141471372) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is tert-butyl pyrazino[2,1-a]isoquinoline-2-carboxylate.

Molecular Properties

Compound Nametert-butyl pyrazino[2,1-a]isoquinoline-2-carboxylate
PubChem CID141471372
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Nametert-butyl pyrazino[2,1-a]isoquinoline-2-carboxylate
SMILESCC(C)(C)OC(=O)N1C=CN2C=Cc3ccccc3C2=C1
InChIInChI=1S/C17H18N2O2/c1-17(2,3)21-16(20)19-11-10-18-9-8-13-6-4-5-7-14(13)15(18)12-19/h4-12H,1-3H3
InChIKeyBUFWUESSFHUWCY-UHFFFAOYSA-N
XLogP3.99
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl pyrazino[2,1-a]isoquinoline-2-carboxylate 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 1-cyano-1H-isoquinoline-2-carboxylate
CID 86230589
tert-butyl 3-aminoazepine-1-carboxylate
CID 141121175
tert-butyl 3H-imidazo[1,5-a]pyrazine-7-carboxylate
CID 69037458
tert-butyl (1E)-1-(2-methoxy-2-oxoethylidene)-3-oxoisoindole-2-carboxylate
CID 58777962
tert-butyl 2,6-diphenyl-4H-pyridine-1-carboxylate
CID 11858652
tert-butyl N-(1,3-dioxoisoindol-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 11793055
tert-butyl 4-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]phenyl]benzoate
CID 173271816
tert-butyl 4-bromo-2-(2,3-difluorophenyl)pyrrole-1-carboxylate
CID 169499919
4H-benzo[a]quinolizine-3-carboxylic acid
CID 135314294
tert-butyl 1H-indol-1-ium-1-carboxylate chloride
CID 87623979
tert-butyl 4-(4-bromophenyl)-2H-pyridine-1-carboxylate
CID 11067667
ditert-butyl 2,5-bis(1,4-benzodioxin-3-yl)pyrazine-1,4-dicarboxylate
CID 102520377

Frequently Asked Questions

What is the IUPAC name of tert-butyl pyrazino[2,1-a]isoquinoline-2-carboxylate?
The IUPAC name of tert-butyl pyrazino[2,1-a]isoquinoline-2-carboxylate (CID 141471372) is tert-butyl pyrazino[2,1-a]isoquinoline-2-carboxylate.
What is the SMILES notation for tert-butyl pyrazino[2,1-a]isoquinoline-2-carboxylate?
The canonical SMILES for tert-butyl pyrazino[2,1-a]isoquinoline-2-carboxylate is CC(C)(C)OC(=O)N1C=CN2C=Cc3ccccc3C2=C1.
What is the InChIKey of tert-butyl pyrazino[2,1-a]isoquinoline-2-carboxylate?
The InChIKey is BUFWUESSFHUWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-17(2,3)21-16(20)19-11-10-18-9-8-13-6-4-5-7-14(13)15(18)12-19/h4-12H,1-3H3.
What are the key properties of tert-butyl pyrazino[2,1-a]isoquinoline-2-carboxylate?
tert-butyl pyrazino[2,1-a]isoquinoline-2-carboxylate has a molecular weight of 282.34 g/mol, XLogP of 3.99, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl pyrazino[2,1-a]isoquinoline-2-carboxylate is sourced from PubChem (CID 141471372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).