2-(4-fluorophenyl)sulfanyl-N-(3-piperidin-1-ylpropyl)quinoline-4-carboxamide

C24H26FN3OS — CID 3546767

IUPAC2-(4-fluorophenyl)sulfanyl-N-(3-piperidin-1-ylpropyl)quinoline-4-carboxamide
SMILESO=C(NCCCN1CCCCC1)c1cc(Sc2ccc(F)cc2)nc2ccccc12
InChIInChI=1S/C24H26FN3OS/c25-18-9-11-19(12-10-18)30-23-17-21(20-7-2-3-8-22(20)27-23)24(29)26-13-6-16-28-14-4-1-5-15-28/h2-3,7-12,17H,1,4-6,13-16H2,(H,26,29)
InChIKeyZKOBEVAUFBWFFT-UHFFFAOYSA-N
MW423.56 g/mol
LogP5.13
Rot. Bonds7

About 2-(4-fluorophenyl)sulfanyl-N-(3-piperidin-1-ylpropyl)quinoline-4-carboxamide

2-(4-fluorophenyl)sulfanyl-N-(3-piperidin-1-ylpropyl)quinoline-4-carboxamide (PubChem CID 3546767) has the molecular formula C24H26FN3OS and a molecular weight of 423.56 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-(3-piperidin-1-ylpropyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-(3-piperidin-1-ylpropyl)quinoline-4-carboxamide
PubChem CID3546767
Molecular FormulaC24H26FN3OS
Molecular Weight423.56 g/mol
Exact Mass423.18
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-(3-piperidin-1-ylpropyl)quinoline-4-carboxamide
SMILESO=C(NCCCN1CCCCC1)c1cc(Sc2ccc(F)cc2)nc2ccccc12
InChIInChI=1S/C24H26FN3OS/c25-18-9-11-19(12-10-18)30-23-17-21(20-7-2-3-8-22(20)27-23)24(29)26-13-6-16-28-14-4-1-5-15-28/h2-3,7-12,17H,1,4-6,13-16H2,(H,26,29)
InChIKeyZKOBEVAUFBWFFT-UHFFFAOYSA-N
XLogP5.13
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.56
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-fluorophenyl)sulfanyl-N-(3-piperidin-1-ylpropyl)quinoline-4-carboxamide 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 2-(4-fluorophenyl)sulfanyl-N-(3-piperidin-1-ylpropyl)quinoline-4-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-(3-piperidin-1-ylpropyl)quinoline-4-carboxamide (CID 3546767) is 2-(4-fluorophenyl)sulfanyl-N-(3-piperidin-1-ylpropyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-(3-piperidin-1-ylpropyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-(3-piperidin-1-ylpropyl)quinoline-4-carboxamide is O=C(NCCCN1CCCCC1)c1cc(Sc2ccc(F)cc2)nc2ccccc12.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-(3-piperidin-1-ylpropyl)quinoline-4-carboxamide?
The InChIKey is ZKOBEVAUFBWFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3OS/c25-18-9-11-19(12-10-18)30-23-17-21(20-7-2-3-8-22(20)27-23)24(29)26-13-6-16-28-14-4-1-5-15-28/h2-3,7-12,17H,1,4-6,13-16H2,(H,26,29).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-(3-piperidin-1-ylpropyl)quinoline-4-carboxamide?
2-(4-fluorophenyl)sulfanyl-N-(3-piperidin-1-ylpropyl)quinoline-4-carboxamide has a molecular weight of 423.56 g/mol, XLogP of 5.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N-(3-piperidin-1-ylpropyl)quinoline-4-carboxamide is sourced from PubChem (CID 3546767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).