tert-butyl N-[2-(3,7-dichloroquinoxalin-2-yl)ethyl]carbamate

C15H17Cl2N3O2 — CID 117274813

IUPACtert-butyl N-[2-(3,7-dichloroquinoxalin-2-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1nc2cc(Cl)ccc2nc1Cl
InChIInChI=1S/C15H17Cl2N3O2/c1-15(2,3)22-14(21)18-7-6-11-13(17)20-10-5-4-9(16)8-12(10)19-11/h4-5,8H,6-7H2,1-3H3,(H,18,21)
InChIKeyBPYOODVEJMXCPO-UHFFFAOYSA-N
MW342.23 g/mol
LogP4.00
Rot. Bonds3

About tert-butyl N-[2-(3,7-dichloroquinoxalin-2-yl)ethyl]carbamate

tert-butyl N-[2-(3,7-dichloroquinoxalin-2-yl)ethyl]carbamate (PubChem CID 117274813) has the molecular formula C15H17Cl2N3O2 and a molecular weight of 342.23 g/mol. Its IUPAC name is tert-butyl N-[2-(3,7-dichloroquinoxalin-2-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(3,7-dichloroquinoxalin-2-yl)ethyl]carbamate
PubChem CID117274813
Molecular FormulaC15H17Cl2N3O2
Molecular Weight342.23 g/mol
Exact Mass341.07
IUPAC Nametert-butyl N-[2-(3,7-dichloroquinoxalin-2-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1nc2cc(Cl)ccc2nc1Cl
InChIInChI=1S/C15H17Cl2N3O2/c1-15(2,3)22-14(21)18-7-6-11-13(17)20-10-5-4-9(16)8-12(10)19-11/h4-5,8H,6-7H2,1-3H3,(H,18,21)
InChIKeyBPYOODVEJMXCPO-UHFFFAOYSA-N
XLogP4.00
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(3,7-dichloroquinoxalin-2-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(3,7-dichloroquinoxalin-2-yl)ethyl]carbamate (CID 117274813) is tert-butyl N-[2-(3,7-dichloroquinoxalin-2-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(3,7-dichloroquinoxalin-2-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(3,7-dichloroquinoxalin-2-yl)ethyl]carbamate is CC(C)(C)OC(=O)NCCc1nc2cc(Cl)ccc2nc1Cl.
What is the InChIKey of tert-butyl N-[2-(3,7-dichloroquinoxalin-2-yl)ethyl]carbamate?
The InChIKey is BPYOODVEJMXCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3O2/c1-15(2,3)22-14(21)18-7-6-11-13(17)20-10-5-4-9(16)8-12(10)19-11/h4-5,8H,6-7H2,1-3H3,(H,18,21).
What are the key properties of tert-butyl N-[2-(3,7-dichloroquinoxalin-2-yl)ethyl]carbamate?
tert-butyl N-[2-(3,7-dichloroquinoxalin-2-yl)ethyl]carbamate has a molecular weight of 342.23 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(3,7-dichloroquinoxalin-2-yl)ethyl]carbamate is sourced from PubChem (CID 117274813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).