tert-butyl N-[2-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)ethyl]-N-ethylcarbamate

C18H27BrN2O2 — CID 57343401

IUPACtert-butyl N-[2-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)ethyl]-N-ethylcarbamate
SMILESCCN(CCN1CCCc2cc(Br)ccc21)C(=O)OC(C)(C)C
InChIInChI=1S/C18H27BrN2O2/c1-5-20(17(22)23-18(2,3)4)11-12-21-10-6-7-14-13-15(19)8-9-16(14)21/h8-9,13H,5-7,10-12H2,1-4H3
InChIKeyZTITVIFTYVHMTJ-UHFFFAOYSA-N
MW383.33 g/mol
LogP4.46
Rot. Bonds4

About tert-butyl N-[2-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)ethyl]-N-ethylcarbamate

tert-butyl N-[2-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)ethyl]-N-ethylcarbamate (PubChem CID 57343401) has the molecular formula C18H27BrN2O2 and a molecular weight of 383.33 g/mol. Its IUPAC name is tert-butyl N-[2-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)ethyl]-N-ethylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)ethyl]-N-ethylcarbamate
PubChem CID57343401
Molecular FormulaC18H27BrN2O2
Molecular Weight383.33 g/mol
Exact Mass382.13
IUPAC Nametert-butyl N-[2-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)ethyl]-N-ethylcarbamate
SMILESCCN(CCN1CCCc2cc(Br)ccc21)C(=O)OC(C)(C)C
InChIInChI=1S/C18H27BrN2O2/c1-5-20(17(22)23-18(2,3)4)11-12-21-10-6-7-14-13-15(19)8-9-16(14)21/h8-9,13H,5-7,10-12H2,1-4H3
InChIKeyZTITVIFTYVHMTJ-UHFFFAOYSA-N
XLogP4.46
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.33
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)ethyl]-N-ethylcarbamate?
The IUPAC name of tert-butyl N-[2-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)ethyl]-N-ethylcarbamate (CID 57343401) is tert-butyl N-[2-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)ethyl]-N-ethylcarbamate.
What is the SMILES notation for tert-butyl N-[2-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)ethyl]-N-ethylcarbamate?
The canonical SMILES for tert-butyl N-[2-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)ethyl]-N-ethylcarbamate is CCN(CCN1CCCc2cc(Br)ccc21)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)ethyl]-N-ethylcarbamate?
The InChIKey is ZTITVIFTYVHMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BrN2O2/c1-5-20(17(22)23-18(2,3)4)11-12-21-10-6-7-14-13-15(19)8-9-16(14)21/h8-9,13H,5-7,10-12H2,1-4H3.
What are the key properties of tert-butyl N-[2-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)ethyl]-N-ethylcarbamate?
tert-butyl N-[2-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)ethyl]-N-ethylcarbamate has a molecular weight of 383.33 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)ethyl]-N-ethylcarbamate is sourced from PubChem (CID 57343401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).