tert-butyl N-(5-bromo-2-methoxyquinolin-7-yl)carbamate

C15H17BrN2O3 — CID 156572162

IUPACtert-butyl N-(5-bromo-2-methoxyquinolin-7-yl)carbamate
SMILESCOc1ccc2c(Br)cc(NC(=O)OC(C)(C)C)cc2n1
InChIInChI=1S/C15H17BrN2O3/c1-15(2,3)21-14(19)17-9-7-11(16)10-5-6-13(20-4)18-12(10)8-9/h5-8H,1-4H3,(H,17,19)
InChIKeyJOXHYQUFEHADMK-UHFFFAOYSA-N
MW353.22 g/mol
LogP4.35
Rot. Bonds2

About tert-butyl N-(5-bromo-2-methoxyquinolin-7-yl)carbamate

tert-butyl N-(5-bromo-2-methoxyquinolin-7-yl)carbamate (PubChem CID 156572162) has the molecular formula C15H17BrN2O3 and a molecular weight of 353.22 g/mol. Its IUPAC name is tert-butyl N-(5-bromo-2-methoxyquinolin-7-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-bromo-2-methoxyquinolin-7-yl)carbamate
PubChem CID156572162
Molecular FormulaC15H17BrN2O3
Molecular Weight353.22 g/mol
Exact Mass352.04
IUPAC Nametert-butyl N-(5-bromo-2-methoxyquinolin-7-yl)carbamate
SMILESCOc1ccc2c(Br)cc(NC(=O)OC(C)(C)C)cc2n1
InChIInChI=1S/C15H17BrN2O3/c1-15(2,3)21-14(19)17-9-7-11(16)10-5-6-13(20-4)18-12(10)8-9/h5-8H,1-4H3,(H,17,19)
InChIKeyJOXHYQUFEHADMK-UHFFFAOYSA-N
XLogP4.35
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.22
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(2,6-dibromo-4-pyridinyl)carbamate
CID 121232345
tert-butyl N-(5-bromo-6-methoxy-3-pyridinyl)carbamate
CID 73010774
tert-butyl N-[3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 123753749
tert-butyl N-(5-bromo-6-methoxy-2-pyridinyl)carbamate
CID 156516754
tert-butyl N-(7-bromo-2-methylquinazolin-4-yl)carbamate
CID 164517252
tert-butyl N-(3,5-dimethylphenyl)carbamate;ethane
CID 143766104
tert-butyl N-(3-methyl-2H-indazol-6-yl)carbamate
CID 57295675
tert-butyl N-(7-bromo-2,3-dimethyl-1H-indol-5-yl)carbamate
CID 59051841
tert-butyl N-[2-(bromomethyl)-6-(2-methoxyethoxy)-4-pyridinyl]carbamate
CID 177332343
tert-butyl N-(3-iodo-2H-indazol-5-yl)carbamate
CID 67453726
tert-butyl N-(3-bromo-4-methylphenyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate
CID 158687232
tert-butyl N-(6-bromo-2-methyl-3-pyridinyl)carbamate
CID 75487739

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-bromo-2-methoxyquinolin-7-yl)carbamate?
The IUPAC name of tert-butyl N-(5-bromo-2-methoxyquinolin-7-yl)carbamate (CID 156572162) is tert-butyl N-(5-bromo-2-methoxyquinolin-7-yl)carbamate.
What is the SMILES notation for tert-butyl N-(5-bromo-2-methoxyquinolin-7-yl)carbamate?
The canonical SMILES for tert-butyl N-(5-bromo-2-methoxyquinolin-7-yl)carbamate is COc1ccc2c(Br)cc(NC(=O)OC(C)(C)C)cc2n1.
What is the InChIKey of tert-butyl N-(5-bromo-2-methoxyquinolin-7-yl)carbamate?
The InChIKey is JOXHYQUFEHADMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O3/c1-15(2,3)21-14(19)17-9-7-11(16)10-5-6-13(20-4)18-12(10)8-9/h5-8H,1-4H3,(H,17,19).
What are the key properties of tert-butyl N-(5-bromo-2-methoxyquinolin-7-yl)carbamate?
tert-butyl N-(5-bromo-2-methoxyquinolin-7-yl)carbamate has a molecular weight of 353.22 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-bromo-2-methoxyquinolin-7-yl)carbamate is sourced from PubChem (CID 156572162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).