ethyl 6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]pyridine-2-carboxylate

C30H23FN2O3 — CID 122196333

IUPACethyl 6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]pyridine-2-carboxylate
SMILESCCOC(=O)c1ccc(-c2ccc(OCc3ccc4ccccc4n3)cc2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C30H23FN2O3/c1-2-35-30(34)28-18-17-26(29(33-28)22-7-12-23(31)13-8-22)20-10-15-25(16-11-20)36-19-24-14-9-21-5-3-4-6-27(21)32-24/h3-18H,2,19H2,1H3
InChIKeyFKYJRXBTQRWKSO-UHFFFAOYSA-N
MW478.52 g/mol
LogP6.86
Rot. Bonds7

About ethyl 6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]pyridine-2-carboxylate

ethyl 6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]pyridine-2-carboxylate (PubChem CID 122196333) has the molecular formula C30H23FN2O3 and a molecular weight of 478.52 g/mol. Its IUPAC name is ethyl 6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]pyridine-2-carboxylate
PubChem CID122196333
Molecular FormulaC30H23FN2O3
Molecular Weight478.52 g/mol
Exact Mass478.17
IUPAC Nameethyl 6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]pyridine-2-carboxylate
SMILESCCOC(=O)c1ccc(-c2ccc(OCc3ccc4ccccc4n3)cc2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C30H23FN2O3/c1-2-35-30(34)28-18-17-26(29(33-28)22-7-12-23(31)13-8-22)20-10-15-25(16-11-20)36-19-24-14-9-21-5-3-4-6-27(21)32-24/h3-18H,2,19H2,1H3
InChIKeyFKYJRXBTQRWKSO-UHFFFAOYSA-N
XLogP6.86
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.52
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]pyridine-2-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 6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]pyridine-2-carboxylate?
The IUPAC name of ethyl 6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]pyridine-2-carboxylate (CID 122196333) is ethyl 6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]pyridine-2-carboxylate is CCOC(=O)c1ccc(-c2ccc(OCc3ccc4ccccc4n3)cc2)c(-c2ccc(F)cc2)n1.
What is the InChIKey of ethyl 6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]pyridine-2-carboxylate?
The InChIKey is FKYJRXBTQRWKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23FN2O3/c1-2-35-30(34)28-18-17-26(29(33-28)22-7-12-23(31)13-8-22)20-10-15-25(16-11-20)36-19-24-14-9-21-5-3-4-6-27(21)32-24/h3-18H,2,19H2,1H3.
What are the key properties of ethyl 6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]pyridine-2-carboxylate?
ethyl 6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]pyridine-2-carboxylate has a molecular weight of 478.52 g/mol, XLogP of 6.86, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]pyridine-2-carboxylate is sourced from PubChem (CID 122196333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).