quinolin-8-yl furan-2-carboxylate

C14H9NO3 — CID 739638

IUPACquinolin-8-yl furan-2-carboxylate
SMILESO=C(Oc1cccc2cccnc12)c1ccco1
InChIInChI=1S/C14H9NO3/c16-14(12-7-3-9-17-12)18-11-6-1-4-10-5-2-8-15-13(10)11/h1-9H
InChIKeyGZLFCAJSXRIEDL-UHFFFAOYSA-N
MW239.23 g/mol
LogP3.05
Rot. Bonds2

About quinolin-8-yl furan-2-carboxylate

quinolin-8-yl furan-2-carboxylate (PubChem CID 739638) has the molecular formula C14H9NO3 and a molecular weight of 239.23 g/mol. Its IUPAC name is quinolin-8-yl furan-2-carboxylate.

Molecular Properties

Compound Namequinolin-8-yl furan-2-carboxylate
PubChem CID739638
Molecular FormulaC14H9NO3
Molecular Weight239.23 g/mol
Exact Mass239.06
IUPAC Namequinolin-8-yl furan-2-carboxylate
SMILESO=C(Oc1cccc2cccnc12)c1ccco1
InChIInChI=1S/C14H9NO3/c16-14(12-7-3-9-17-12)18-11-6-1-4-10-5-2-8-15-13(10)11/h1-9H
InChIKeyGZLFCAJSXRIEDL-UHFFFAOYSA-N
XLogP3.05
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of quinolin-8-yl furan-2-carboxylate?
The IUPAC name of quinolin-8-yl furan-2-carboxylate (CID 739638) is quinolin-8-yl furan-2-carboxylate.
What is the SMILES notation for quinolin-8-yl furan-2-carboxylate?
The canonical SMILES for quinolin-8-yl furan-2-carboxylate is O=C(Oc1cccc2cccnc12)c1ccco1.
What is the InChIKey of quinolin-8-yl furan-2-carboxylate?
The InChIKey is GZLFCAJSXRIEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO3/c16-14(12-7-3-9-17-12)18-11-6-1-4-10-5-2-8-15-13(10)11/h1-9H.
What are the key properties of quinolin-8-yl furan-2-carboxylate?
quinolin-8-yl furan-2-carboxylate has a molecular weight of 239.23 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-8-yl furan-2-carboxylate is sourced from PubChem (CID 739638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).