7-(2-cyclopenta[c]pyran-5-ylpyrimidin-4-yl)oxyquinoline

C21H13N3O2 — CID 66887007

IUPAC7-(2-cyclopenta[c]pyran-5-ylpyrimidin-4-yl)oxyquinoline
SMILESc1cnc2cc(Oc3ccnc(-c4ccc5coccc4-5)n3)ccc2c1
InChIInChI=1S/C21H13N3O2/c1-2-14-3-5-16(12-19(14)22-9-1)26-20-7-10-23-21(24-20)18-6-4-15-13-25-11-8-17(15)18/h1-13H
InChIKeyWLSJZCRVMJDDAP-UHFFFAOYSA-N
MW339.35 g/mol
LogP5.18
Rot. Bonds3

About 7-(2-cyclopenta[c]pyran-5-ylpyrimidin-4-yl)oxyquinoline

7-(2-cyclopenta[c]pyran-5-ylpyrimidin-4-yl)oxyquinoline (PubChem CID 66887007) has the molecular formula C21H13N3O2 and a molecular weight of 339.35 g/mol. Its IUPAC name is 7-(2-cyclopenta[c]pyran-5-ylpyrimidin-4-yl)oxyquinoline.

Molecular Properties

Compound Name7-(2-cyclopenta[c]pyran-5-ylpyrimidin-4-yl)oxyquinoline
PubChem CID66887007
Molecular FormulaC21H13N3O2
Molecular Weight339.35 g/mol
Exact Mass339.10
IUPAC Name7-(2-cyclopenta[c]pyran-5-ylpyrimidin-4-yl)oxyquinoline
SMILESc1cnc2cc(Oc3ccnc(-c4ccc5coccc4-5)n3)ccc2c1
InChIInChI=1S/C21H13N3O2/c1-2-14-3-5-16(12-19(14)22-9-1)26-20-7-10-23-21(24-20)18-6-4-15-13-25-11-8-17(15)18/h1-13H
InChIKeyWLSJZCRVMJDDAP-UHFFFAOYSA-N
XLogP5.18
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.35
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(2-cyclopenta[c]pyran-5-ylpyrimidin-4-yl)oxyquinoline?
The IUPAC name of 7-(2-cyclopenta[c]pyran-5-ylpyrimidin-4-yl)oxyquinoline (CID 66887007) is 7-(2-cyclopenta[c]pyran-5-ylpyrimidin-4-yl)oxyquinoline.
What is the SMILES notation for 7-(2-cyclopenta[c]pyran-5-ylpyrimidin-4-yl)oxyquinoline?
The canonical SMILES for 7-(2-cyclopenta[c]pyran-5-ylpyrimidin-4-yl)oxyquinoline is c1cnc2cc(Oc3ccnc(-c4ccc5coccc4-5)n3)ccc2c1.
What is the InChIKey of 7-(2-cyclopenta[c]pyran-5-ylpyrimidin-4-yl)oxyquinoline?
The InChIKey is WLSJZCRVMJDDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13N3O2/c1-2-14-3-5-16(12-19(14)22-9-1)26-20-7-10-23-21(24-20)18-6-4-15-13-25-11-8-17(15)18/h1-13H.
What are the key properties of 7-(2-cyclopenta[c]pyran-5-ylpyrimidin-4-yl)oxyquinoline?
7-(2-cyclopenta[c]pyran-5-ylpyrimidin-4-yl)oxyquinoline has a molecular weight of 339.35 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-cyclopenta[c]pyran-5-ylpyrimidin-4-yl)oxyquinoline is sourced from PubChem (CID 66887007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).