tert-butyl N-quinolin-6-ylcarbamate

C14H16N2O2 — CID 22318072

IUPACtert-butyl N-quinolin-6-ylcarbamate
SMILESCC(C)(C)OC(=O)Nc1ccc2ncccc2c1
InChIInChI=1S/C14H16N2O2/c1-14(2,3)18-13(17)16-11-6-7-12-10(9-11)5-4-8-15-12/h4-9H,1-3H3,(H,16,17)
InChIKeyBDBIAZNDFPUJFD-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.58
Rot. Bonds1

About tert-butyl N-quinolin-6-ylcarbamate

tert-butyl N-quinolin-6-ylcarbamate (PubChem CID 22318072) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is tert-butyl N-quinolin-6-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-quinolin-6-ylcarbamate
PubChem CID22318072
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Nametert-butyl N-quinolin-6-ylcarbamate
SMILESCC(C)(C)OC(=O)Nc1ccc2ncccc2c1
InChIInChI=1S/C14H16N2O2/c1-14(2,3)18-13(17)16-11-6-7-12-10(9-11)5-4-8-15-12/h4-9H,1-3H3,(H,16,17)
InChIKeyBDBIAZNDFPUJFD-UHFFFAOYSA-N
XLogP3.58
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-quinolin-6-ylcarbamate?
The IUPAC name of tert-butyl N-quinolin-6-ylcarbamate (CID 22318072) is tert-butyl N-quinolin-6-ylcarbamate.
What is the SMILES notation for tert-butyl N-quinolin-6-ylcarbamate?
The canonical SMILES for tert-butyl N-quinolin-6-ylcarbamate is CC(C)(C)OC(=O)Nc1ccc2ncccc2c1.
What is the InChIKey of tert-butyl N-quinolin-6-ylcarbamate?
The InChIKey is BDBIAZNDFPUJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-14(2,3)18-13(17)16-11-6-7-12-10(9-11)5-4-8-15-12/h4-9H,1-3H3,(H,16,17).
What are the key properties of tert-butyl N-quinolin-6-ylcarbamate?
tert-butyl N-quinolin-6-ylcarbamate has a molecular weight of 244.29 g/mol, XLogP of 3.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-quinolin-6-ylcarbamate is sourced from PubChem (CID 22318072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).