tert-butyl N-methyl-N-quinolin-2-ylcarbamate

C15H18N2O2 — CID 56795189

IUPACtert-butyl N-methyl-N-quinolin-2-ylcarbamate
SMILESCN(C(=O)OC(C)(C)C)c1ccc2ccccc2n1
InChIInChI=1S/C15H18N2O2/c1-15(2,3)19-14(18)17(4)13-10-9-11-7-5-6-8-12(11)16-13/h5-10H,1-4H3
InChIKeyRTPLOTGMAIZKES-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.61
Rot. Bonds1

About tert-butyl N-methyl-N-quinolin-2-ylcarbamate

tert-butyl N-methyl-N-quinolin-2-ylcarbamate (PubChem CID 56795189) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is tert-butyl N-methyl-N-quinolin-2-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-quinolin-2-ylcarbamate
PubChem CID56795189
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Nametert-butyl N-methyl-N-quinolin-2-ylcarbamate
SMILESCN(C(=O)OC(C)(C)C)c1ccc2ccccc2n1
InChIInChI=1S/C15H18N2O2/c1-15(2,3)19-14(18)17(4)13-10-9-11-7-5-6-8-12(11)16-13/h5-10H,1-4H3
InChIKeyRTPLOTGMAIZKES-UHFFFAOYSA-N
XLogP3.61
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-quinolin-2-ylcarbamate?
The IUPAC name of tert-butyl N-methyl-N-quinolin-2-ylcarbamate (CID 56795189) is tert-butyl N-methyl-N-quinolin-2-ylcarbamate.
What is the SMILES notation for tert-butyl N-methyl-N-quinolin-2-ylcarbamate?
The canonical SMILES for tert-butyl N-methyl-N-quinolin-2-ylcarbamate is CN(C(=O)OC(C)(C)C)c1ccc2ccccc2n1.
What is the InChIKey of tert-butyl N-methyl-N-quinolin-2-ylcarbamate?
The InChIKey is RTPLOTGMAIZKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-15(2,3)19-14(18)17(4)13-10-9-11-7-5-6-8-12(11)16-13/h5-10H,1-4H3.
What are the key properties of tert-butyl N-methyl-N-quinolin-2-ylcarbamate?
tert-butyl N-methyl-N-quinolin-2-ylcarbamate has a molecular weight of 258.32 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-quinolin-2-ylcarbamate is sourced from PubChem (CID 56795189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).