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

C24H19FN2O2S — CID 4185759

IUPAC2-(4-fluorophenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]quinoline-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(Sc3ccc(F)cc3)nc3ccccc23)cc1
InChIInChI=1S/C24H19FN2O2S/c1-29-18-10-6-16(7-11-18)15-26-24(28)21-14-23(27-22-5-3-2-4-20(21)22)30-19-12-8-17(25)9-13-19/h2-14H,15H2,1H3,(H,26,28)
InChIKeyIQIBJUGDADOZQK-UHFFFAOYSA-N
MW418.49 g/mol
LogP5.46
Rot. Bonds6

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

2-(4-fluorophenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]quinoline-4-carboxamide (PubChem CID 4185759) has the molecular formula C24H19FN2O2S and a molecular weight of 418.49 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]quinoline-4-carboxamide
PubChem CID4185759
Molecular FormulaC24H19FN2O2S
Molecular Weight418.49 g/mol
Exact Mass418.12
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]quinoline-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(Sc3ccc(F)cc3)nc3ccccc23)cc1
InChIInChI=1S/C24H19FN2O2S/c1-29-18-10-6-16(7-11-18)15-26-24(28)21-14-23(27-22-5-3-2-4-20(21)22)30-19-12-8-17(25)9-13-19/h2-14H,15H2,1H3,(H,26,28)
InChIKeyIQIBJUGDADOZQK-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

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]quinoline-2-carboxamide
CID 2093012
4-methoxy-N-[(2-methylquinolin-4-yl)methyl]benzamide
CID 4915921
N-(2-methoxybenzyl)-2-methylquinoline-4-carboxamide
CID 2713353
2-chloro-N-[2-(4-methoxyphenyl)ethyl]quinoline-4-carboxamide
CID 24683819
7-Methoxy-2-phenyl-quinoline-4-carboxylic acid phenethyl-amide
CID 10177949
7-Methoxy-2-phenyl-quinoline-4-carboxylic acid benzylamide
CID 10270385
(R)-(4-Methoxy-phenyl)-[(2-phenyl-quinoline-4-carbonyl)-amino]-acetic acid methyl ester
CID 10622339
N-(4-methoxybenzyl)-2-quinolinecarboxamide
CID 800754
N-(3-amino-4-methylphenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 1173898
[2-(4-Methoxyphenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 2334534
N-[(3,4-dimethoxyphenyl)methyl]-2-methylquinoline-4-carboxamide
CID 2446246
2-(4-methoxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide
CID 2476404

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]quinoline-4-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]quinoline-4-carboxamide (CID 4185759) is 2-(4-fluorophenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]quinoline-4-carboxamide is COc1ccc(CNC(=O)c2cc(Sc3ccc(F)cc3)nc3ccccc23)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]quinoline-4-carboxamide?
The InChIKey is IQIBJUGDADOZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O2S/c1-29-18-10-6-16(7-11-18)15-26-24(28)21-14-23(27-22-5-3-2-4-20(21)22)30-19-12-8-17(25)9-13-19/h2-14H,15H2,1H3,(H,26,28).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]quinoline-4-carboxamide?
2-(4-fluorophenyl)sulfanyl-N-[(4-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-[(4-methoxyphenyl)methyl]quinoline-4-carboxamide is sourced from PubChem (CID 4185759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).