5-(5-bromo-6-chloropyrimidin-4-yl)oxyquinoline

C13H7BrClN3O — CID 114071647

IUPAC5-(5-bromo-6-chloropyrimidin-4-yl)oxyquinoline
SMILESClc1ncnc(Oc2cccc3ncccc23)c1Br
InChIInChI=1S/C13H7BrClN3O/c14-11-12(15)17-7-18-13(11)19-10-5-1-4-9-8(10)3-2-6-16-9/h1-7H
InChIKeyJADOJRUPQPMQNF-UHFFFAOYSA-N
MW336.58 g/mol
LogP4.23
Rot. Bonds2

About 5-(5-bromo-6-chloropyrimidin-4-yl)oxyquinoline

5-(5-bromo-6-chloropyrimidin-4-yl)oxyquinoline (PubChem CID 114071647) has the molecular formula C13H7BrClN3O and a molecular weight of 336.58 g/mol. Its IUPAC name is 5-(5-bromo-6-chloropyrimidin-4-yl)oxyquinoline.

Molecular Properties

Compound Name5-(5-bromo-6-chloropyrimidin-4-yl)oxyquinoline
PubChem CID114071647
Molecular FormulaC13H7BrClN3O
Molecular Weight336.58 g/mol
Exact Mass334.95
IUPAC Name5-(5-bromo-6-chloropyrimidin-4-yl)oxyquinoline
SMILESClc1ncnc(Oc2cccc3ncccc23)c1Br
InChIInChI=1S/C13H7BrClN3O/c14-11-12(15)17-7-18-13(11)19-10-5-1-4-9-8(10)3-2-6-16-9/h1-7H
InChIKeyJADOJRUPQPMQNF-UHFFFAOYSA-N
XLogP4.23
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.58
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(6-chloro-5-propan-2-ylpyrimidin-4-yl)oxyquinoline
CID 103044674
5-(6-chloro-5-propylpyrimidin-4-yl)oxyquinoline
CID 103044702
7-(5-bromo-6-chloropyrimidin-4-yl)oxyquinoline
CID 114071649
2-quinolin-5-yloxypyridin-3-amine
CID 103043871
5-bromo-4-chloro-6-(2,4,5-trichlorophenoxy)pyrimidine
CID 114071617
5-[(2,6-dichloro-4-pyridinyl)oxy]quinoline
CID 151981623
5-(4-methoxyphenoxy)quinoline
CID 122457274
5-pyridin-4-yloxyquinoline
CID 91445201
4-(2-chlorophenoxy)quinazoline
CID 31538122
5-chloro-N-ethyl-4-quinolin-5-yloxypyrimidin-2-amine
CID 103046129
5-[(2-chloro-7H-purin-6-yl)oxy]quinoline
CID 103044721
2-methoxy-6-quinolin-5-yloxyaniline
CID 103043894

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-6-chloropyrimidin-4-yl)oxyquinoline?
The IUPAC name of 5-(5-bromo-6-chloropyrimidin-4-yl)oxyquinoline (CID 114071647) is 5-(5-bromo-6-chloropyrimidin-4-yl)oxyquinoline.
What is the SMILES notation for 5-(5-bromo-6-chloropyrimidin-4-yl)oxyquinoline?
The canonical SMILES for 5-(5-bromo-6-chloropyrimidin-4-yl)oxyquinoline is Clc1ncnc(Oc2cccc3ncccc23)c1Br.
What is the InChIKey of 5-(5-bromo-6-chloropyrimidin-4-yl)oxyquinoline?
The InChIKey is JADOJRUPQPMQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClN3O/c14-11-12(15)17-7-18-13(11)19-10-5-1-4-9-8(10)3-2-6-16-9/h1-7H.
What are the key properties of 5-(5-bromo-6-chloropyrimidin-4-yl)oxyquinoline?
5-(5-bromo-6-chloropyrimidin-4-yl)oxyquinoline has a molecular weight of 336.58 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-6-chloropyrimidin-4-yl)oxyquinoline is sourced from PubChem (CID 114071647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).