quinolin-8-yl 2-fluorobenzoate

C16H10FNO2 — CID 579411

IUPACquinolin-8-yl 2-fluorobenzoate
SMILESO=C(Oc1cccc2cccnc12)c1ccccc1F
InChIInChI=1S/C16H10FNO2/c17-13-8-2-1-7-12(13)16(19)20-14-9-3-5-11-6-4-10-18-15(11)14/h1-10H
InChIKeyAARLUPJXIMXZGP-UHFFFAOYSA-N
MW267.26 g/mol
LogP3.59
Rot. Bonds2

About quinolin-8-yl 2-fluorobenzoate

quinolin-8-yl 2-fluorobenzoate (PubChem CID 579411) has the molecular formula C16H10FNO2 and a molecular weight of 267.26 g/mol. Its IUPAC name is quinolin-8-yl 2-fluorobenzoate.

Molecular Properties

Compound Namequinolin-8-yl 2-fluorobenzoate
PubChem CID579411
Molecular FormulaC16H10FNO2
Molecular Weight267.26 g/mol
Exact Mass267.07
IUPAC Namequinolin-8-yl 2-fluorobenzoate
SMILESO=C(Oc1cccc2cccnc12)c1ccccc1F
InChIInChI=1S/C16H10FNO2/c17-13-8-2-1-7-12(13)16(19)20-14-9-3-5-11-6-4-10-18-15(11)14/h1-10H
InChIKeyAARLUPJXIMXZGP-UHFFFAOYSA-N
XLogP3.59
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-fluorobenzoate?
The IUPAC name of quinolin-8-yl 2-fluorobenzoate (CID 579411) is quinolin-8-yl 2-fluorobenzoate.
What is the SMILES notation for quinolin-8-yl 2-fluorobenzoate?
The canonical SMILES for quinolin-8-yl 2-fluorobenzoate is O=C(Oc1cccc2cccnc12)c1ccccc1F.
What is the InChIKey of quinolin-8-yl 2-fluorobenzoate?
The InChIKey is AARLUPJXIMXZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FNO2/c17-13-8-2-1-7-12(13)16(19)20-14-9-3-5-11-6-4-10-18-15(11)14/h1-10H.
What are the key properties of quinolin-8-yl 2-fluorobenzoate?
quinolin-8-yl 2-fluorobenzoate has a molecular weight of 267.26 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-8-yl 2-fluorobenzoate is sourced from PubChem (CID 579411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).