5-(6-chloro-5-propylpyrimidin-4-yl)oxyquinoline

C16H14ClN3O — CID 103044702

IUPAC5-(6-chloro-5-propylpyrimidin-4-yl)oxyquinoline
SMILESCCCc1c(Cl)ncnc1Oc1cccc2ncccc12
InChIInChI=1S/C16H14ClN3O/c1-2-5-12-15(17)19-10-20-16(12)21-14-8-3-7-13-11(14)6-4-9-18-13/h3-4,6-10H,2,5H2,1H3
InChIKeyNVXRIBXWTQBCRZ-UHFFFAOYSA-N
MW299.76 g/mol
LogP4.42
Rot. Bonds4

About 5-(6-chloro-5-propylpyrimidin-4-yl)oxyquinoline

5-(6-chloro-5-propylpyrimidin-4-yl)oxyquinoline (PubChem CID 103044702) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is 5-(6-chloro-5-propylpyrimidin-4-yl)oxyquinoline.

Molecular Properties

Compound Name5-(6-chloro-5-propylpyrimidin-4-yl)oxyquinoline
PubChem CID103044702
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name5-(6-chloro-5-propylpyrimidin-4-yl)oxyquinoline
SMILESCCCc1c(Cl)ncnc1Oc1cccc2ncccc12
InChIInChI=1S/C16H14ClN3O/c1-2-5-12-15(17)19-10-20-16(12)21-14-8-3-7-13-11(14)6-4-9-18-13/h3-4,6-10H,2,5H2,1H3
InChIKeyNVXRIBXWTQBCRZ-UHFFFAOYSA-N
XLogP4.42
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(6-chloro-5-propylpyrimidin-4-yl)oxyquinoline?
The IUPAC name of 5-(6-chloro-5-propylpyrimidin-4-yl)oxyquinoline (CID 103044702) is 5-(6-chloro-5-propylpyrimidin-4-yl)oxyquinoline.
What is the SMILES notation for 5-(6-chloro-5-propylpyrimidin-4-yl)oxyquinoline?
The canonical SMILES for 5-(6-chloro-5-propylpyrimidin-4-yl)oxyquinoline is CCCc1c(Cl)ncnc1Oc1cccc2ncccc12.
What is the InChIKey of 5-(6-chloro-5-propylpyrimidin-4-yl)oxyquinoline?
The InChIKey is NVXRIBXWTQBCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c1-2-5-12-15(17)19-10-20-16(12)21-14-8-3-7-13-11(14)6-4-9-18-13/h3-4,6-10H,2,5H2,1H3.
What are the key properties of 5-(6-chloro-5-propylpyrimidin-4-yl)oxyquinoline?
5-(6-chloro-5-propylpyrimidin-4-yl)oxyquinoline has a molecular weight of 299.76 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-chloro-5-propylpyrimidin-4-yl)oxyquinoline is sourced from PubChem (CID 103044702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).