ethyl 5,8-difluoro-4-pyridin-3-yloxyquinoline-3-carboxylate

C17H12F2N2O3 — CID 2801021

IUPACethyl 5,8-difluoro-4-pyridin-3-yloxyquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(F)ccc(F)c2c1Oc1cccnc1
InChIInChI=1S/C17H12F2N2O3/c1-2-23-17(22)11-9-21-15-13(19)6-5-12(18)14(15)16(11)24-10-4-3-7-20-8-10/h3-9H,2H2,1H3
InChIKeyLISAGEMAVCFIFR-UHFFFAOYSA-N
MW330.29 g/mol
LogP3.88
Rot. Bonds4

About ethyl 5,8-difluoro-4-pyridin-3-yloxyquinoline-3-carboxylate

ethyl 5,8-difluoro-4-pyridin-3-yloxyquinoline-3-carboxylate (PubChem CID 2801021) has the molecular formula C17H12F2N2O3 and a molecular weight of 330.29 g/mol. Its IUPAC name is ethyl 5,8-difluoro-4-pyridin-3-yloxyquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 5,8-difluoro-4-pyridin-3-yloxyquinoline-3-carboxylate
PubChem CID2801021
Molecular FormulaC17H12F2N2O3
Molecular Weight330.29 g/mol
Exact Mass330.08
IUPAC Nameethyl 5,8-difluoro-4-pyridin-3-yloxyquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(F)ccc(F)c2c1Oc1cccnc1
InChIInChI=1S/C17H12F2N2O3/c1-2-23-17(22)11-9-21-15-13(19)6-5-12(18)14(15)16(11)24-10-4-3-7-20-8-10/h3-9H,2H2,1H3
InChIKeyLISAGEMAVCFIFR-UHFFFAOYSA-N
XLogP3.88
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.29
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 5,8-difluoro-4-pyridin-3-yloxyquinoline-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 5,8-difluoro-4-pyridin-3-yloxyquinoline-3-carboxylate?
The IUPAC name of ethyl 5,8-difluoro-4-pyridin-3-yloxyquinoline-3-carboxylate (CID 2801021) is ethyl 5,8-difluoro-4-pyridin-3-yloxyquinoline-3-carboxylate.
What is the SMILES notation for ethyl 5,8-difluoro-4-pyridin-3-yloxyquinoline-3-carboxylate?
The canonical SMILES for ethyl 5,8-difluoro-4-pyridin-3-yloxyquinoline-3-carboxylate is CCOC(=O)c1cnc2c(F)ccc(F)c2c1Oc1cccnc1.
What is the InChIKey of ethyl 5,8-difluoro-4-pyridin-3-yloxyquinoline-3-carboxylate?
The InChIKey is LISAGEMAVCFIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N2O3/c1-2-23-17(22)11-9-21-15-13(19)6-5-12(18)14(15)16(11)24-10-4-3-7-20-8-10/h3-9H,2H2,1H3.
What are the key properties of ethyl 5,8-difluoro-4-pyridin-3-yloxyquinoline-3-carboxylate?
ethyl 5,8-difluoro-4-pyridin-3-yloxyquinoline-3-carboxylate has a molecular weight of 330.29 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5,8-difluoro-4-pyridin-3-yloxyquinoline-3-carboxylate is sourced from PubChem (CID 2801021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).