2-(4-fluorophenyl)sulfanyl-N-[(3-methoxyphenyl)methyl]quinoline-4-carboxamide

C24H19FN2O2S — CID 4185766

IUPAC2-(4-fluorophenyl)sulfanyl-N-[(3-methoxyphenyl)methyl]quinoline-4-carboxamide
SMILESCOc1cccc(CNC(=O)c2cc(Sc3ccc(F)cc3)nc3ccccc23)c1
InChIInChI=1S/C24H19FN2O2S/c1-29-18-6-4-5-16(13-18)15-26-24(28)21-14-23(27-22-8-3-2-7-20(21)22)30-19-11-9-17(25)10-12-19/h2-14H,15H2,1H3,(H,26,28)
InChIKeyFUAIJJBDGOITGN-UHFFFAOYSA-N
MW418.49 g/mol
LogP5.46
Rot. Bonds6

About 2-(4-fluorophenyl)sulfanyl-N-[(3-methoxyphenyl)methyl]quinoline-4-carboxamide

2-(4-fluorophenyl)sulfanyl-N-[(3-methoxyphenyl)methyl]quinoline-4-carboxamide (PubChem CID 4185766) has the molecular formula C24H19FN2O2S and a molecular weight of 418.49 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-[(3-methoxyphenyl)methyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-[(3-methoxyphenyl)methyl]quinoline-4-carboxamide
PubChem CID4185766
Molecular FormulaC24H19FN2O2S
Molecular Weight418.49 g/mol
Exact Mass418.12
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-[(3-methoxyphenyl)methyl]quinoline-4-carboxamide
SMILESCOc1cccc(CNC(=O)c2cc(Sc3ccc(F)cc3)nc3ccccc23)c1
InChIInChI=1S/C24H19FN2O2S/c1-29-18-6-4-5-16(13-18)15-26-24(28)21-14-23(27-22-8-3-2-7-20(21)22)30-19-11-9-17(25)10-12-19/h2-14H,15H2,1H3,(H,26,28)
InChIKeyFUAIJJBDGOITGN-UHFFFAOYSA-N
XLogP5.46
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.49
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-fluorophenyl)sulfanyl-N-[(3-methoxyphenyl)methyl]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

Related Compounds

CID 44143478
CID 44143478
CID 4915921
CID 4915921
CID 862401
CID 862401
CID 2713353
CID 2713353
CID 1504526
CID 1504526
CID 10177949
CID 10177949
CID 10270385
CID 10270385
CID 1009238
CID 1009238
CID 1292979
CID 1292979
CID 2446246
CID 2446246
CID 2476404
CID 2476404
CID 2931997
CID 2931997

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[(3-methoxyphenyl)methyl]quinoline-4-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[(3-methoxyphenyl)methyl]quinoline-4-carboxamide (CID 4185766) is 2-(4-fluorophenyl)sulfanyl-N-[(3-methoxyphenyl)methyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-[(3-methoxyphenyl)methyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-[(3-methoxyphenyl)methyl]quinoline-4-carboxamide is COc1cccc(CNC(=O)c2cc(Sc3ccc(F)cc3)nc3ccccc23)c1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-[(3-methoxyphenyl)methyl]quinoline-4-carboxamide?
The InChIKey is FUAIJJBDGOITGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O2S/c1-29-18-6-4-5-16(13-18)15-26-24(28)21-14-23(27-22-8-3-2-7-20(21)22)30-19-11-9-17(25)10-12-19/h2-14H,15H2,1H3,(H,26,28).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-[(3-methoxyphenyl)methyl]quinoline-4-carboxamide?
2-(4-fluorophenyl)sulfanyl-N-[(3-methoxyphenyl)methyl]quinoline-4-carboxamide has a molecular weight of 418.49 g/mol, XLogP of 5.46, 6 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-methoxyphenyl)methyl]quinoline-4-carboxamide is sourced from PubChem (CID 4185766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).