tert-butyl N-(4-chloroimidazo[1,5-a]quinoxalin-7-yl)carbamate

C15H15ClN4O2 — CID 104892182

IUPACtert-butyl N-(4-chloroimidazo[1,5-a]quinoxalin-7-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc2c(c1)nc(Cl)c1cncn12
InChIInChI=1S/C15H15ClN4O2/c1-15(2,3)22-14(21)18-9-4-5-11-10(6-9)19-13(16)12-7-17-8-20(11)12/h4-8H,1-3H3,(H,18,21)
InChIKeyKLMUTANVOIBELK-UHFFFAOYSA-N
MW318.76 g/mol
LogP3.88
Rot. Bonds1

About tert-butyl N-(4-chloroimidazo[1,5-a]quinoxalin-7-yl)carbamate

tert-butyl N-(4-chloroimidazo[1,5-a]quinoxalin-7-yl)carbamate (PubChem CID 104892182) has the molecular formula C15H15ClN4O2 and a molecular weight of 318.76 g/mol. Its IUPAC name is tert-butyl N-(4-chloroimidazo[1,5-a]quinoxalin-7-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-chloroimidazo[1,5-a]quinoxalin-7-yl)carbamate
PubChem CID104892182
Molecular FormulaC15H15ClN4O2
Molecular Weight318.76 g/mol
Exact Mass318.09
IUPAC Nametert-butyl N-(4-chloroimidazo[1,5-a]quinoxalin-7-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc2c(c1)nc(Cl)c1cncn12
InChIInChI=1S/C15H15ClN4O2/c1-15(2,3)22-14(21)18-9-4-5-11-10(6-9)19-13(16)12-7-17-8-20(11)12/h4-8H,1-3H3,(H,18,21)
InChIKeyKLMUTANVOIBELK-UHFFFAOYSA-N
XLogP3.88
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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tert-butyl N-(2H-pyridin-2-id-5-yl)carbamate;yttrium
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ethyl 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]indazol-2-yl]acetate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-chloroimidazo[1,5-a]quinoxalin-7-yl)carbamate?
The IUPAC name of tert-butyl N-(4-chloroimidazo[1,5-a]quinoxalin-7-yl)carbamate (CID 104892182) is tert-butyl N-(4-chloroimidazo[1,5-a]quinoxalin-7-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4-chloroimidazo[1,5-a]quinoxalin-7-yl)carbamate?
The canonical SMILES for tert-butyl N-(4-chloroimidazo[1,5-a]quinoxalin-7-yl)carbamate is CC(C)(C)OC(=O)Nc1ccc2c(c1)nc(Cl)c1cncn12.
What is the InChIKey of tert-butyl N-(4-chloroimidazo[1,5-a]quinoxalin-7-yl)carbamate?
The InChIKey is KLMUTANVOIBELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O2/c1-15(2,3)22-14(21)18-9-4-5-11-10(6-9)19-13(16)12-7-17-8-20(11)12/h4-8H,1-3H3,(H,18,21).
What are the key properties of tert-butyl N-(4-chloroimidazo[1,5-a]quinoxalin-7-yl)carbamate?
tert-butyl N-(4-chloroimidazo[1,5-a]quinoxalin-7-yl)carbamate has a molecular weight of 318.76 g/mol, XLogP of 3.88, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-chloroimidazo[1,5-a]quinoxalin-7-yl)carbamate is sourced from PubChem (CID 104892182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).