(7-bromoquinolin-4-yl)oxythallium

C9H5BrNOTl — CID 142517045

IUPAC(7-bromoquinolin-4-yl)oxythallium
SMILESBrc1ccc2c(O[Tl])ccnc2c1
InChIInChI=1S/C9H6BrNO.Tl/c10-6-1-2-7-8(5-6)11-4-3-9(7)12;/h1-5H,(H,11,12);/q;+1/p-1
InChIKeyYMPXPKKQPVNTEO-UHFFFAOYSA-M
MW427.43 g/mol
LogP2.46
Rot. Bonds1

About (7-bromoquinolin-4-yl)oxythallium

(7-bromoquinolin-4-yl)oxythallium (PubChem CID 142517045) has the molecular formula C9H5BrNOTl and a molecular weight of 427.43 g/mol. Its IUPAC name is (7-bromoquinolin-4-yl)oxythallium.

Molecular Properties

Compound Name(7-bromoquinolin-4-yl)oxythallium
PubChem CID142517045
Molecular FormulaC9H5BrNOTl
Molecular Weight427.43 g/mol
Exact Mass426.93
IUPAC Name(7-bromoquinolin-4-yl)oxythallium
SMILESBrc1ccc2c(O[Tl])ccnc2c1
InChIInChI=1S/C9H6BrNO.Tl/c10-6-1-2-7-8(5-6)11-4-3-9(7)12;/h1-5H,(H,11,12);/q;+1/p-1
InChIKeyYMPXPKKQPVNTEO-UHFFFAOYSA-M
XLogP2.46
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.43
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(7-bromoquinolin-4-yl)methanol
CID 57139704
7-bromo-4-(2-isocyanoethyl)quinoline
CID 83488708
4,7-dimethoxyquinoline
CID 20743716
7-bromo-4-(7-bromoquinazolin-4-yl)oxyquinazoline
CID 70383438
7-bromo-N-(2,4-dimethoxyphenyl)quinolin-4-amine
CID 50877851
7-bromo-N-(2,5-dimethoxyphenyl)quinolin-4-amine
CID 50877861
1-N'-[4-(7-bromoquinolin-4-yl)oxy-3-fluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 155382114
2-(7-bromoquinolin-4-yl)sulfanylacetic acid
CID 43840483
1-[(7-bromoquinolin-4-yl)amino]-2-methylpropan-2-ol
CID 165134506
3-bromo-5-(7-chloroquinolin-4-yl)oxyaniline
CID 103589147
tert-butyl N-(7-bromoquinolin-4-yl)carbamate
CID 71742953
4-bromo-2-quinolin-5-yloxyaniline
CID 103044042

Frequently Asked Questions

What is the IUPAC name of (7-bromoquinolin-4-yl)oxythallium?
The IUPAC name of (7-bromoquinolin-4-yl)oxythallium (CID 142517045) is (7-bromoquinolin-4-yl)oxythallium.
What is the SMILES notation for (7-bromoquinolin-4-yl)oxythallium?
The canonical SMILES for (7-bromoquinolin-4-yl)oxythallium is Brc1ccc2c(O[Tl])ccnc2c1.
What is the InChIKey of (7-bromoquinolin-4-yl)oxythallium?
The InChIKey is YMPXPKKQPVNTEO-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H6BrNO.Tl/c10-6-1-2-7-8(5-6)11-4-3-9(7)12;/h1-5H,(H,11,12);/q;+1/p-1.
What are the key properties of (7-bromoquinolin-4-yl)oxythallium?
(7-bromoquinolin-4-yl)oxythallium has a molecular weight of 427.43 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromoquinolin-4-yl)oxythallium is sourced from PubChem (CID 142517045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).