tert-butyl N-(4-acetylquinolin-2-yl)carbamate

C16H18N2O3 — CID 118689136

IUPACtert-butyl N-(4-acetylquinolin-2-yl)carbamate
SMILESCC(=O)c1cc(NC(=O)OC(C)(C)C)nc2ccccc12
InChIInChI=1S/C16H18N2O3/c1-10(19)12-9-14(18-15(20)21-16(2,3)4)17-13-8-6-5-7-11(12)13/h5-9H,1-4H3,(H,17,18,20)
InChIKeyUBYVTUCYKGYAPP-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.78
Rot. Bonds2

About tert-butyl N-(4-acetylquinolin-2-yl)carbamate

tert-butyl N-(4-acetylquinolin-2-yl)carbamate (PubChem CID 118689136) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is tert-butyl N-(4-acetylquinolin-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-acetylquinolin-2-yl)carbamate
PubChem CID118689136
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Nametert-butyl N-(4-acetylquinolin-2-yl)carbamate
SMILESCC(=O)c1cc(NC(=O)OC(C)(C)C)nc2ccccc12
InChIInChI=1S/C16H18N2O3/c1-10(19)12-9-14(18-15(20)21-16(2,3)4)17-13-8-6-5-7-11(12)13/h5-9H,1-4H3,(H,17,18,20)
InChIKeyUBYVTUCYKGYAPP-UHFFFAOYSA-N
XLogP3.78
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-acetylquinolin-2-yl)carbamate?
The IUPAC name of tert-butyl N-(4-acetylquinolin-2-yl)carbamate (CID 118689136) is tert-butyl N-(4-acetylquinolin-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4-acetylquinolin-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(4-acetylquinolin-2-yl)carbamate is CC(=O)c1cc(NC(=O)OC(C)(C)C)nc2ccccc12.
What is the InChIKey of tert-butyl N-(4-acetylquinolin-2-yl)carbamate?
The InChIKey is UBYVTUCYKGYAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-10(19)12-9-14(18-15(20)21-16(2,3)4)17-13-8-6-5-7-11(12)13/h5-9H,1-4H3,(H,17,18,20).
What are the key properties of tert-butyl N-(4-acetylquinolin-2-yl)carbamate?
tert-butyl N-(4-acetylquinolin-2-yl)carbamate has a molecular weight of 286.33 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-acetylquinolin-2-yl)carbamate is sourced from PubChem (CID 118689136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).