tert-butyl N-[2-(7-ethyl-8-methoxyquinolin-5-yl)ethyl]-N-methylcarbamate

C20H28N2O3 — CID 90267828

IUPACtert-butyl N-[2-(7-ethyl-8-methoxyquinolin-5-yl)ethyl]-N-methylcarbamate
SMILESCCc1cc(CCN(C)C(=O)OC(C)(C)C)c2cccnc2c1OC
InChIInChI=1S/C20H28N2O3/c1-7-14-13-15(10-12-22(5)19(23)25-20(2,3)4)16-9-8-11-21-17(16)18(14)24-6/h8-9,11,13H,7,10,12H2,1-6H3
InChIKeyQDWPLIMXGSEDAO-UHFFFAOYSA-N
MW344.46 g/mol
LogP4.22
Rot. Bonds5

About tert-butyl N-[2-(7-ethyl-8-methoxyquinolin-5-yl)ethyl]-N-methylcarbamate

tert-butyl N-[2-(7-ethyl-8-methoxyquinolin-5-yl)ethyl]-N-methylcarbamate (PubChem CID 90267828) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is tert-butyl N-[2-(7-ethyl-8-methoxyquinolin-5-yl)ethyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(7-ethyl-8-methoxyquinolin-5-yl)ethyl]-N-methylcarbamate
PubChem CID90267828
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Nametert-butyl N-[2-(7-ethyl-8-methoxyquinolin-5-yl)ethyl]-N-methylcarbamate
SMILESCCc1cc(CCN(C)C(=O)OC(C)(C)C)c2cccnc2c1OC
InChIInChI=1S/C20H28N2O3/c1-7-14-13-15(10-12-22(5)19(23)25-20(2,3)4)16-9-8-11-21-17(16)18(14)24-6/h8-9,11,13H,7,10,12H2,1-6H3
InChIKeyQDWPLIMXGSEDAO-UHFFFAOYSA-N
XLogP4.22
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(7-ethyl-8-methoxyquinolin-5-yl)ethyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-(7-ethyl-8-methoxyquinolin-5-yl)ethyl]-N-methylcarbamate (CID 90267828) is tert-butyl N-[2-(7-ethyl-8-methoxyquinolin-5-yl)ethyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-(7-ethyl-8-methoxyquinolin-5-yl)ethyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-(7-ethyl-8-methoxyquinolin-5-yl)ethyl]-N-methylcarbamate is CCc1cc(CCN(C)C(=O)OC(C)(C)C)c2cccnc2c1OC.
What is the InChIKey of tert-butyl N-[2-(7-ethyl-8-methoxyquinolin-5-yl)ethyl]-N-methylcarbamate?
The InChIKey is QDWPLIMXGSEDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-7-14-13-15(10-12-22(5)19(23)25-20(2,3)4)16-9-8-11-21-17(16)18(14)24-6/h8-9,11,13H,7,10,12H2,1-6H3.
What are the key properties of tert-butyl N-[2-(7-ethyl-8-methoxyquinolin-5-yl)ethyl]-N-methylcarbamate?
tert-butyl N-[2-(7-ethyl-8-methoxyquinolin-5-yl)ethyl]-N-methylcarbamate has a molecular weight of 344.46 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(7-ethyl-8-methoxyquinolin-5-yl)ethyl]-N-methylcarbamate is sourced from PubChem (CID 90267828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).