5-(6-chloro-5-propan-2-ylpyrimidin-4-yl)oxyquinoline

C16H14ClN3O — CID 103044674

IUPAC5-(6-chloro-5-propan-2-ylpyrimidin-4-yl)oxyquinoline
SMILESCC(C)c1c(Cl)ncnc1Oc1cccc2ncccc12
InChIInChI=1S/C16H14ClN3O/c1-10(2)14-15(17)19-9-20-16(14)21-13-7-3-6-12-11(13)5-4-8-18-12/h3-10H,1-2H3
InChIKeyMEXUXNZQWWNWAA-UHFFFAOYSA-N
MW299.76 g/mol
LogP4.59
Rot. Bonds3

About 5-(6-chloro-5-propan-2-ylpyrimidin-4-yl)oxyquinoline

5-(6-chloro-5-propan-2-ylpyrimidin-4-yl)oxyquinoline (PubChem CID 103044674) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is 5-(6-chloro-5-propan-2-ylpyrimidin-4-yl)oxyquinoline.

Molecular Properties

Compound Name5-(6-chloro-5-propan-2-ylpyrimidin-4-yl)oxyquinoline
PubChem CID103044674
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name5-(6-chloro-5-propan-2-ylpyrimidin-4-yl)oxyquinoline
SMILESCC(C)c1c(Cl)ncnc1Oc1cccc2ncccc12
InChIInChI=1S/C16H14ClN3O/c1-10(2)14-15(17)19-9-20-16(14)21-13-7-3-6-12-11(13)5-4-8-18-12/h3-10H,1-2H3
InChIKeyMEXUXNZQWWNWAA-UHFFFAOYSA-N
XLogP4.59
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-bromo-6-chloropyrimidin-4-yl)oxyquinoline
CID 114071647
4-chloro-6-(2,6-dimethoxyphenoxy)-5-propan-2-ylpyrimidine
CID 63736223
5-(6-chloro-5-propylpyrimidin-4-yl)oxyquinoline
CID 103044702
4-chloro-5-propan-2-yl-6-(2-propoxyphenoxy)pyrimidine
CID 63735708
4-chloro-6-(4-fluorophenoxy)-5-propan-2-ylpyrimidine
CID 63734173
4-chloro-6-(3-methylphenoxy)-5-propan-2-ylpyrimidine
CID 63736411
2-quinolin-5-yloxypyridin-3-amine
CID 103043871
4-chloro-6-(2,5-dichlorophenoxy)-5-propan-2-ylpyrimidine
CID 55229855
4-chloro-6-(2,4-dimethylphenoxy)-5-propan-2-ylpyrimidine
CID 63736592
2-methoxy-6-quinolin-5-yloxyaniline
CID 103043894
5-[(2,6-dichloro-4-pyridinyl)oxy]quinoline
CID 151981623
6-naphthalen-1-yloxy-5-propan-2-ylpyrimidin-4-amine
CID 80865916

Frequently Asked Questions

What is the IUPAC name of 5-(6-chloro-5-propan-2-ylpyrimidin-4-yl)oxyquinoline?
The IUPAC name of 5-(6-chloro-5-propan-2-ylpyrimidin-4-yl)oxyquinoline (CID 103044674) is 5-(6-chloro-5-propan-2-ylpyrimidin-4-yl)oxyquinoline.
What is the SMILES notation for 5-(6-chloro-5-propan-2-ylpyrimidin-4-yl)oxyquinoline?
The canonical SMILES for 5-(6-chloro-5-propan-2-ylpyrimidin-4-yl)oxyquinoline is CC(C)c1c(Cl)ncnc1Oc1cccc2ncccc12.
What is the InChIKey of 5-(6-chloro-5-propan-2-ylpyrimidin-4-yl)oxyquinoline?
The InChIKey is MEXUXNZQWWNWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c1-10(2)14-15(17)19-9-20-16(14)21-13-7-3-6-12-11(13)5-4-8-18-12/h3-10H,1-2H3.
What are the key properties of 5-(6-chloro-5-propan-2-ylpyrimidin-4-yl)oxyquinoline?
5-(6-chloro-5-propan-2-ylpyrimidin-4-yl)oxyquinoline has a molecular weight of 299.76 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-chloro-5-propan-2-ylpyrimidin-4-yl)oxyquinoline is sourced from PubChem (CID 103044674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).