tert-butyl N-(7-bromoquinolin-4-yl)carbamate

C14H15BrN2O2 — CID 71742953

IUPACtert-butyl N-(7-bromoquinolin-4-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccnc2cc(Br)ccc12
InChIInChI=1S/C14H15BrN2O2/c1-14(2,3)19-13(18)17-11-6-7-16-12-8-9(15)4-5-10(11)12/h4-8H,1-3H3,(H,16,17,18)
InChIKeyPGXBYJYCMRUHTK-UHFFFAOYSA-N
MW323.19 g/mol
LogP4.34
Rot. Bonds1

About tert-butyl N-(7-bromoquinolin-4-yl)carbamate

tert-butyl N-(7-bromoquinolin-4-yl)carbamate (PubChem CID 71742953) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is tert-butyl N-(7-bromoquinolin-4-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(7-bromoquinolin-4-yl)carbamate
PubChem CID71742953
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Nametert-butyl N-(7-bromoquinolin-4-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccnc2cc(Br)ccc12
InChIInChI=1S/C14H15BrN2O2/c1-14(2,3)19-13(18)17-11-6-7-16-12-8-9(15)4-5-10(11)12/h4-8H,1-3H3,(H,16,17,18)
InChIKeyPGXBYJYCMRUHTK-UHFFFAOYSA-N
XLogP4.34
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(7-bromo-2-methylquinazolin-4-yl)carbamate
CID 164517252
1-[(7-bromoquinolin-4-yl)amino]-2-methylpropan-2-ol
CID 165134506
tert-butyl N-(2-bromo-3-fluoro-4-pyridinyl)carbamate
CID 118295548
tert-butyl N-(4-bromo-2-fluorophenyl)carbamate
CID 22736228
tert-butyl N-(4-bromo-2-nitrosophenyl)carbamate
CID 147354820
tert-butyl N-(5-bromo-2-methoxyphenyl)carbamate;propane
CID 144536105
tert-butyl N-[2-[(Z)-2-(4-bromo-2-formylphenyl)ethenyl]phenyl]carbamate
CID 131747329
tert-butyl N-(5-bromo-1-methylpyrazol-4-yl)carbamate
CID 146155648
tert-butyl N-[2-[(4-acetamidobenzoyl)amino]-4-bromophenyl]carbamate
CID 67291019
tert-butyl N-(6-bromopyrazolo[1,5-a]pyridin-3-yl)carbamate
CID 137347375
tert-butyl N-(2-bromo-5-hydroxy-4-pyridinyl)carbamate
CID 155702377
tert-butyl N-[2-[(4-bromo-2-pyridinyl)carbamoylamino]ethyl]carbamate
CID 108864612

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(7-bromoquinolin-4-yl)carbamate?
The IUPAC name of tert-butyl N-(7-bromoquinolin-4-yl)carbamate (CID 71742953) is tert-butyl N-(7-bromoquinolin-4-yl)carbamate.
What is the SMILES notation for tert-butyl N-(7-bromoquinolin-4-yl)carbamate?
The canonical SMILES for tert-butyl N-(7-bromoquinolin-4-yl)carbamate is CC(C)(C)OC(=O)Nc1ccnc2cc(Br)ccc12.
What is the InChIKey of tert-butyl N-(7-bromoquinolin-4-yl)carbamate?
The InChIKey is PGXBYJYCMRUHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c1-14(2,3)19-13(18)17-11-6-7-16-12-8-9(15)4-5-10(11)12/h4-8H,1-3H3,(H,16,17,18).
What are the key properties of tert-butyl N-(7-bromoquinolin-4-yl)carbamate?
tert-butyl N-(7-bromoquinolin-4-yl)carbamate has a molecular weight of 323.19 g/mol, XLogP of 4.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(7-bromoquinolin-4-yl)carbamate is sourced from PubChem (CID 71742953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).