tert-butyl N-(8-hydroxyquinolin-5-yl)carbamate

C14H16N2O3 — CID 66916666

IUPACtert-butyl N-(8-hydroxyquinolin-5-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(O)c2ncccc12
InChIInChI=1S/C14H16N2O3/c1-14(2,3)19-13(18)16-10-6-7-11(17)12-9(10)5-4-8-15-12/h4-8,17H,1-3H3,(H,16,18)
InChIKeyUIKRTGLUPBXTMA-UHFFFAOYSA-N
MW260.29 g/mol
LogP3.29
Rot. Bonds1

About tert-butyl N-(8-hydroxyquinolin-5-yl)carbamate

tert-butyl N-(8-hydroxyquinolin-5-yl)carbamate (PubChem CID 66916666) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is tert-butyl N-(8-hydroxyquinolin-5-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(8-hydroxyquinolin-5-yl)carbamate
PubChem CID66916666
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Nametert-butyl N-(8-hydroxyquinolin-5-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(O)c2ncccc12
InChIInChI=1S/C14H16N2O3/c1-14(2,3)19-13(18)16-10-6-7-11(17)12-9(10)5-4-8-15-12/h4-8,17H,1-3H3,(H,16,18)
InChIKeyUIKRTGLUPBXTMA-UHFFFAOYSA-N
XLogP3.29
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(5-formylquinolin-8-yl)carbamate
CID 155816847
N-(8-hydroxyquinolin-5-yl)-2-sulfanylacetamide
CID 45254009
tert-butyl N-(2-ethynyl-3-pyridinyl)carbamate
CID 87248899
tert-butyl N-(2-hydroxyphenyl)carbamate
CID 4935485
tert-butyl N-(2-oxoazepin-3-yl)carbamate
CID 21224786
tert-butyl N-[2-(bromomethyl)-3-pyridinyl]carbamate
CID 133061112
2-[(2-methylpropan-2-yl)oxy]-N-(8-methylquinolin-5-yl)acetamide
CID 115949975
tert-butyl N-[3-[(5-chloroquinolin-8-yl)amino]propyl]carbamate
CID 103821885
tert-butyl N-(5-iodo-8-phenylmethoxyquinolin-6-yl)carbamate
CID 22053399
tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl N-quinolin-5-ylcarbamate;quinolin-5-amine
CID 162166731
tert-butyl N-[4-[(E)-2-pyridin-4-ylethenyl]naphthalen-1-yl]carbamate
CID 142008030
N-(8-aminoquinolin-5-yl)-2-methoxy-2-methylpropanamide
CID 103017992

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(8-hydroxyquinolin-5-yl)carbamate?
The IUPAC name of tert-butyl N-(8-hydroxyquinolin-5-yl)carbamate (CID 66916666) is tert-butyl N-(8-hydroxyquinolin-5-yl)carbamate.
What is the SMILES notation for tert-butyl N-(8-hydroxyquinolin-5-yl)carbamate?
The canonical SMILES for tert-butyl N-(8-hydroxyquinolin-5-yl)carbamate is CC(C)(C)OC(=O)Nc1ccc(O)c2ncccc12.
What is the InChIKey of tert-butyl N-(8-hydroxyquinolin-5-yl)carbamate?
The InChIKey is UIKRTGLUPBXTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-14(2,3)19-13(18)16-10-6-7-11(17)12-9(10)5-4-8-15-12/h4-8,17H,1-3H3,(H,16,18).
What are the key properties of tert-butyl N-(8-hydroxyquinolin-5-yl)carbamate?
tert-butyl N-(8-hydroxyquinolin-5-yl)carbamate has a molecular weight of 260.29 g/mol, XLogP of 3.29, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(8-hydroxyquinolin-5-yl)carbamate is sourced from PubChem (CID 66916666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).