ethyl 4-(4-fluorophenyl)sulfanyl-6-methylquinoline-3-carboxylate

C19H16FNO2S — CID 1479948

IUPACethyl 4-(4-fluorophenyl)sulfanyl-6-methylquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(C)cc2c1Sc1ccc(F)cc1
InChIInChI=1S/C19H16FNO2S/c1-3-23-19(22)16-11-21-17-9-4-12(2)10-15(17)18(16)24-14-7-5-13(20)6-8-14/h4-11H,3H2,1-2H3
InChIKeyOKCALYJIAWRGLL-UHFFFAOYSA-N
MW341.41 g/mol
LogP5.01
Rot. Bonds4

About ethyl 4-(4-fluorophenyl)sulfanyl-6-methylquinoline-3-carboxylate

ethyl 4-(4-fluorophenyl)sulfanyl-6-methylquinoline-3-carboxylate (PubChem CID 1479948) has the molecular formula C19H16FNO2S and a molecular weight of 341.41 g/mol. Its IUPAC name is ethyl 4-(4-fluorophenyl)sulfanyl-6-methylquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-fluorophenyl)sulfanyl-6-methylquinoline-3-carboxylate
PubChem CID1479948
Molecular FormulaC19H16FNO2S
Molecular Weight341.41 g/mol
Exact Mass341.09
IUPAC Nameethyl 4-(4-fluorophenyl)sulfanyl-6-methylquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(C)cc2c1Sc1ccc(F)cc1
InChIInChI=1S/C19H16FNO2S/c1-3-23-19(22)16-11-21-17-9-4-12(2)10-15(17)18(16)24-14-7-5-13(20)6-8-14/h4-11H,3H2,1-2H3
InChIKeyOKCALYJIAWRGLL-UHFFFAOYSA-N
XLogP5.01
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.41
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 4-(4-fluorophenyl)sulfanyl-6-methylquinoline-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 4-(4-fluorophenyl)sulfanyl-6-methylquinoline-3-carboxylate?
The IUPAC name of ethyl 4-(4-fluorophenyl)sulfanyl-6-methylquinoline-3-carboxylate (CID 1479948) is ethyl 4-(4-fluorophenyl)sulfanyl-6-methylquinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-(4-fluorophenyl)sulfanyl-6-methylquinoline-3-carboxylate?
The canonical SMILES for ethyl 4-(4-fluorophenyl)sulfanyl-6-methylquinoline-3-carboxylate is CCOC(=O)c1cnc2ccc(C)cc2c1Sc1ccc(F)cc1.
What is the InChIKey of ethyl 4-(4-fluorophenyl)sulfanyl-6-methylquinoline-3-carboxylate?
The InChIKey is OKCALYJIAWRGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO2S/c1-3-23-19(22)16-11-21-17-9-4-12(2)10-15(17)18(16)24-14-7-5-13(20)6-8-14/h4-11H,3H2,1-2H3.
What are the key properties of ethyl 4-(4-fluorophenyl)sulfanyl-6-methylquinoline-3-carboxylate?
ethyl 4-(4-fluorophenyl)sulfanyl-6-methylquinoline-3-carboxylate has a molecular weight of 341.41 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-fluorophenyl)sulfanyl-6-methylquinoline-3-carboxylate is sourced from PubChem (CID 1479948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).