7-(5-bromo-6-chloropyrimidin-4-yl)oxyquinoline

C13H7BrClN3O — CID 114071649

IUPAC7-(5-bromo-6-chloropyrimidin-4-yl)oxyquinoline
SMILESClc1ncnc(Oc2ccc3cccnc3c2)c1Br
InChIInChI=1S/C13H7BrClN3O/c14-11-12(15)17-7-18-13(11)19-9-4-3-8-2-1-5-16-10(8)6-9/h1-7H
InChIKeyWOALIYDPLNUFDK-UHFFFAOYSA-N
MW336.58 g/mol
LogP4.23
Rot. Bonds2

About 7-(5-bromo-6-chloropyrimidin-4-yl)oxyquinoline

7-(5-bromo-6-chloropyrimidin-4-yl)oxyquinoline (PubChem CID 114071649) has the molecular formula C13H7BrClN3O and a molecular weight of 336.58 g/mol. Its IUPAC name is 7-(5-bromo-6-chloropyrimidin-4-yl)oxyquinoline.

Molecular Properties

Compound Name7-(5-bromo-6-chloropyrimidin-4-yl)oxyquinoline
PubChem CID114071649
Molecular FormulaC13H7BrClN3O
Molecular Weight336.58 g/mol
Exact Mass334.95
IUPAC Name7-(5-bromo-6-chloropyrimidin-4-yl)oxyquinoline
SMILESClc1ncnc(Oc2ccc3cccnc3c2)c1Br
InChIInChI=1S/C13H7BrClN3O/c14-11-12(15)17-7-18-13(11)19-9-4-3-8-2-1-5-16-10(8)6-9/h1-7H
InChIKeyWOALIYDPLNUFDK-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

7-(6-chloro-5-ethylpyrimidin-4-yl)oxyquinoline
CID 107313613
7-[(3-bromo-5-chloro-2-pyridinyl)oxy]quinoline
CID 107314450
5-(5-bromo-6-chloropyrimidin-4-yl)oxyquinoline
CID 114071647
7-[(2-chloro-4-pyridinyl)oxy]quinoline
CID 107313588
2-quinolin-7-yloxypyridin-3-amine
CID 107313182
7-pyridin-4-yloxyquinoline
CID 141187990
(5-methoxy-6-quinolin-7-yloxypyrimidin-4-yl)hydrazine
CID 107315958
5-propyl-6-quinolin-7-yloxypyrimidin-4-amine
CID 107315866
5-bromo-4-chloro-6-[3-(methoxymethyl)phenoxy]pyrimidine
CID 114071639
5-(methoxyiminomethyl)-6-quinolin-7-yloxypyrimidin-4-amine
CID 74077314
7-[5-bromo-2-(chloromethyl)phenoxy]quinoline
CID 107314156
7-[4-(bromomethyl)-2-chlorophenoxy]quinoline
CID 107314175

Frequently Asked Questions

What is the IUPAC name of 7-(5-bromo-6-chloropyrimidin-4-yl)oxyquinoline?
The IUPAC name of 7-(5-bromo-6-chloropyrimidin-4-yl)oxyquinoline (CID 114071649) is 7-(5-bromo-6-chloropyrimidin-4-yl)oxyquinoline.
What is the SMILES notation for 7-(5-bromo-6-chloropyrimidin-4-yl)oxyquinoline?
The canonical SMILES for 7-(5-bromo-6-chloropyrimidin-4-yl)oxyquinoline is Clc1ncnc(Oc2ccc3cccnc3c2)c1Br.
What is the InChIKey of 7-(5-bromo-6-chloropyrimidin-4-yl)oxyquinoline?
The InChIKey is WOALIYDPLNUFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClN3O/c14-11-12(15)17-7-18-13(11)19-9-4-3-8-2-1-5-16-10(8)6-9/h1-7H.
What are the key properties of 7-(5-bromo-6-chloropyrimidin-4-yl)oxyquinoline?
7-(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 7-(5-bromo-6-chloropyrimidin-4-yl)oxyquinoline is sourced from PubChem (CID 114071649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).