7-(6-chloro-5-ethylpyrimidin-4-yl)oxyquinoline

C15H12ClN3O — CID 107313613

IUPAC7-(6-chloro-5-ethylpyrimidin-4-yl)oxyquinoline
SMILESCCc1c(Cl)ncnc1Oc1ccc2cccnc2c1
InChIInChI=1S/C15H12ClN3O/c1-2-12-14(16)18-9-19-15(12)20-11-6-5-10-4-3-7-17-13(10)8-11/h3-9H,2H2,1H3
InChIKeyRCWZZSLMELNAQO-UHFFFAOYSA-N
MW285.73 g/mol
LogP4.03
Rot. Bonds3

About 7-(6-chloro-5-ethylpyrimidin-4-yl)oxyquinoline

7-(6-chloro-5-ethylpyrimidin-4-yl)oxyquinoline (PubChem CID 107313613) has the molecular formula C15H12ClN3O and a molecular weight of 285.73 g/mol. Its IUPAC name is 7-(6-chloro-5-ethylpyrimidin-4-yl)oxyquinoline.

Molecular Properties

Compound Name7-(6-chloro-5-ethylpyrimidin-4-yl)oxyquinoline
PubChem CID107313613
Molecular FormulaC15H12ClN3O
Molecular Weight285.73 g/mol
Exact Mass285.07
IUPAC Name7-(6-chloro-5-ethylpyrimidin-4-yl)oxyquinoline
SMILESCCc1c(Cl)ncnc1Oc1ccc2cccnc2c1
InChIInChI=1S/C15H12ClN3O/c1-2-12-14(16)18-9-19-15(12)20-11-6-5-10-4-3-7-17-13(10)8-11/h3-9H,2H2,1H3
InChIKeyRCWZZSLMELNAQO-UHFFFAOYSA-N
XLogP4.03
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-(5-bromo-6-chloropyrimidin-4-yl)oxyquinoline
CID 114071649
5-propyl-6-quinolin-7-yloxypyrimidin-4-amine
CID 107315866
4-chloro-5-ethyl-6-(4-methoxyphenoxy)pyrimidine
CID 55228710
4-chloro-6-(3-chloro-4-fluorophenoxy)-5-ethylpyrimidine
CID 63878128
4-(4-tert-butylphenoxy)-6-chloro-5-ethylpyrimidine
CID 63734002
4-chloro-5-ethyl-6-(4-propylphenoxy)pyrimidine
CID 55228714
4-(4-butan-2-ylphenoxy)-6-chloro-5-ethylpyrimidine
CID 107664579
(5-methoxy-6-quinolin-7-yloxypyrimidin-4-yl)hydrazine
CID 107315958
2-quinolin-7-yloxypyridin-3-amine
CID 107313182
7-[(2-chloro-4-pyridinyl)oxy]quinoline
CID 107313588
7-[(3-bromo-5-chloro-2-pyridinyl)oxy]quinoline
CID 107314450
4-chloro-5-ethyl-6-(2-ethylphenoxy)pyrimidine
CID 55229669

Frequently Asked Questions

What is the IUPAC name of 7-(6-chloro-5-ethylpyrimidin-4-yl)oxyquinoline?
The IUPAC name of 7-(6-chloro-5-ethylpyrimidin-4-yl)oxyquinoline (CID 107313613) is 7-(6-chloro-5-ethylpyrimidin-4-yl)oxyquinoline.
What is the SMILES notation for 7-(6-chloro-5-ethylpyrimidin-4-yl)oxyquinoline?
The canonical SMILES for 7-(6-chloro-5-ethylpyrimidin-4-yl)oxyquinoline is CCc1c(Cl)ncnc1Oc1ccc2cccnc2c1.
What is the InChIKey of 7-(6-chloro-5-ethylpyrimidin-4-yl)oxyquinoline?
The InChIKey is RCWZZSLMELNAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O/c1-2-12-14(16)18-9-19-15(12)20-11-6-5-10-4-3-7-17-13(10)8-11/h3-9H,2H2,1H3.
What are the key properties of 7-(6-chloro-5-ethylpyrimidin-4-yl)oxyquinoline?
7-(6-chloro-5-ethylpyrimidin-4-yl)oxyquinoline has a molecular weight of 285.73 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-chloro-5-ethylpyrimidin-4-yl)oxyquinoline is sourced from PubChem (CID 107313613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).