tert-butyl N-(2-oxo-1H-quinolin-5-yl)carbamate

C14H16N2O3 — CID 69185299

IUPACtert-butyl N-(2-oxo-1H-quinolin-5-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc2[nH]c(=O)ccc12
InChIInChI=1S/C14H16N2O3/c1-14(2,3)19-13(18)16-11-6-4-5-10-9(11)7-8-12(17)15-10/h4-8H,1-3H3,(H,15,17)(H,16,18)
InChIKeyNBLVAJZMIJQVJW-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.88
Rot. Bonds1

About tert-butyl N-(2-oxo-1H-quinolin-5-yl)carbamate

tert-butyl N-(2-oxo-1H-quinolin-5-yl)carbamate (PubChem CID 69185299) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is tert-butyl N-(2-oxo-1H-quinolin-5-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-oxo-1H-quinolin-5-yl)carbamate
PubChem CID69185299
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Nametert-butyl N-(2-oxo-1H-quinolin-5-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc2[nH]c(=O)ccc12
InChIInChI=1S/C14H16N2O3/c1-14(2,3)19-13(18)16-11-6-4-5-10-9(11)7-8-12(17)15-10/h4-8H,1-3H3,(H,15,17)(H,16,18)
InChIKeyNBLVAJZMIJQVJW-UHFFFAOYSA-N
XLogP2.88
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-oxo-1H-quinolin-5-yl)carbamate?
The IUPAC name of tert-butyl N-(2-oxo-1H-quinolin-5-yl)carbamate (CID 69185299) is tert-butyl N-(2-oxo-1H-quinolin-5-yl)carbamate.
What is the SMILES notation for tert-butyl N-(2-oxo-1H-quinolin-5-yl)carbamate?
The canonical SMILES for tert-butyl N-(2-oxo-1H-quinolin-5-yl)carbamate is CC(C)(C)OC(=O)Nc1cccc2[nH]c(=O)ccc12.
What is the InChIKey of tert-butyl N-(2-oxo-1H-quinolin-5-yl)carbamate?
The InChIKey is NBLVAJZMIJQVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-14(2,3)19-13(18)16-11-6-4-5-10-9(11)7-8-12(17)15-10/h4-8H,1-3H3,(H,15,17)(H,16,18).
What are the key properties of tert-butyl N-(2-oxo-1H-quinolin-5-yl)carbamate?
tert-butyl N-(2-oxo-1H-quinolin-5-yl)carbamate has a molecular weight of 260.29 g/mol, XLogP of 2.88, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-oxo-1H-quinolin-5-yl)carbamate is sourced from PubChem (CID 69185299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).