4-ethoxy-2-(4-fluorophenyl)-N-[3-(1,3-thiazol-2-yl)propyl]quinoline-7-carboxamide

C24H22FN3O2S — CID 122431851

IUPAC4-ethoxy-2-(4-fluorophenyl)-N-[3-(1,3-thiazol-2-yl)propyl]quinoline-7-carboxamide
SMILESCCOc1cc(-c2ccc(F)cc2)nc2cc(C(=O)NCCCc3nccs3)ccc12
InChIInChI=1S/C24H22FN3O2S/c1-2-30-22-15-20(16-5-8-18(25)9-6-16)28-21-14-17(7-10-19(21)22)24(29)27-11-3-4-23-26-12-13-31-23/h5-10,12-15H,2-4,11H2,1H3,(H,27,29)
InChIKeyINXRNEABTVRXGK-UHFFFAOYSA-N
MW435.52 g/mol
LogP5.26
Rot. Bonds8

About 4-ethoxy-2-(4-fluorophenyl)-N-[3-(1,3-thiazol-2-yl)propyl]quinoline-7-carboxamide

4-ethoxy-2-(4-fluorophenyl)-N-[3-(1,3-thiazol-2-yl)propyl]quinoline-7-carboxamide (PubChem CID 122431851) has the molecular formula C24H22FN3O2S and a molecular weight of 435.52 g/mol. Its IUPAC name is 4-ethoxy-2-(4-fluorophenyl)-N-[3-(1,3-thiazol-2-yl)propyl]quinoline-7-carboxamide.

Molecular Properties

Compound Name4-ethoxy-2-(4-fluorophenyl)-N-[3-(1,3-thiazol-2-yl)propyl]quinoline-7-carboxamide
PubChem CID122431851
Molecular FormulaC24H22FN3O2S
Molecular Weight435.52 g/mol
Exact Mass435.14
IUPAC Name4-ethoxy-2-(4-fluorophenyl)-N-[3-(1,3-thiazol-2-yl)propyl]quinoline-7-carboxamide
SMILESCCOc1cc(-c2ccc(F)cc2)nc2cc(C(=O)NCCCc3nccs3)ccc12
InChIInChI=1S/C24H22FN3O2S/c1-2-30-22-15-20(16-5-8-18(25)9-6-16)28-21-14-17(7-10-19(21)22)24(29)27-11-3-4-23-26-12-13-31-23/h5-10,12-15H,2-4,11H2,1H3,(H,27,29)
InChIKeyINXRNEABTVRXGK-UHFFFAOYSA-N
XLogP5.26
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.52
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-ethoxy-2-(4-fluorophenyl)-N-[3-(1,3-thiazol-2-yl)propyl]quinoline-7-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 4-ethoxy-2-(4-fluorophenyl)-N-[3-(1,3-thiazol-2-yl)propyl]quinoline-7-carboxamide?
The IUPAC name of 4-ethoxy-2-(4-fluorophenyl)-N-[3-(1,3-thiazol-2-yl)propyl]quinoline-7-carboxamide (CID 122431851) is 4-ethoxy-2-(4-fluorophenyl)-N-[3-(1,3-thiazol-2-yl)propyl]quinoline-7-carboxamide.
What is the SMILES notation for 4-ethoxy-2-(4-fluorophenyl)-N-[3-(1,3-thiazol-2-yl)propyl]quinoline-7-carboxamide?
The canonical SMILES for 4-ethoxy-2-(4-fluorophenyl)-N-[3-(1,3-thiazol-2-yl)propyl]quinoline-7-carboxamide is CCOc1cc(-c2ccc(F)cc2)nc2cc(C(=O)NCCCc3nccs3)ccc12.
What is the InChIKey of 4-ethoxy-2-(4-fluorophenyl)-N-[3-(1,3-thiazol-2-yl)propyl]quinoline-7-carboxamide?
The InChIKey is INXRNEABTVRXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O2S/c1-2-30-22-15-20(16-5-8-18(25)9-6-16)28-21-14-17(7-10-19(21)22)24(29)27-11-3-4-23-26-12-13-31-23/h5-10,12-15H,2-4,11H2,1H3,(H,27,29).
What are the key properties of 4-ethoxy-2-(4-fluorophenyl)-N-[3-(1,3-thiazol-2-yl)propyl]quinoline-7-carboxamide?
4-ethoxy-2-(4-fluorophenyl)-N-[3-(1,3-thiazol-2-yl)propyl]quinoline-7-carboxamide has a molecular weight of 435.52 g/mol, XLogP of 5.26, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-(4-fluorophenyl)-N-[3-(1,3-thiazol-2-yl)propyl]quinoline-7-carboxamide is sourced from PubChem (CID 122431851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).