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

C24H19FN2O2S — CID 4185765

IUPAC2-(4-fluorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]quinoline-4-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cc(Sc2ccc(F)cc2)nc2ccccc12
InChIInChI=1S/C24H19FN2O2S/c1-29-22-9-5-2-6-16(22)15-26-24(28)20-14-23(27-21-8-4-3-7-19(20)21)30-18-12-10-17(25)11-13-18/h2-14H,15H2,1H3,(H,26,28)
InChIKeyJIVGJBKVJGBGCK-UHFFFAOYSA-N
MW418.49 g/mol
LogP5.46
Rot. Bonds6

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

2-(4-fluorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]quinoline-4-carboxamide (PubChem CID 4185765) has the molecular formula C24H19FN2O2S and a molecular weight of 418.49 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]quinoline-4-carboxamide
PubChem CID4185765
Molecular FormulaC24H19FN2O2S
Molecular Weight418.49 g/mol
Exact Mass418.12
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]quinoline-4-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cc(Sc2ccc(F)cc2)nc2ccccc12
InChIInChI=1S/C24H19FN2O2S/c1-29-22-9-5-2-6-16(22)15-26-24(28)20-14-23(27-21-8-4-3-7-19(20)21)30-18-12-10-17(25)11-13-18/h2-14H,15H2,1H3,(H,26,28)
InChIKeyJIVGJBKVJGBGCK-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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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]quinoline-4-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]quinoline-4-carboxamide (CID 4185765) is 2-(4-fluorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]quinoline-4-carboxamide is COc1ccccc1CNC(=O)c1cc(Sc2ccc(F)cc2)nc2ccccc12.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]quinoline-4-carboxamide?
The InChIKey is JIVGJBKVJGBGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O2S/c1-29-22-9-5-2-6-16(22)15-26-24(28)20-14-23(27-21-8-4-3-7-19(20)21)30-18-12-10-17(25)11-13-18/h2-14H,15H2,1H3,(H,26,28).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]quinoline-4-carboxamide?
2-(4-fluorophenyl)sulfanyl-N-[(2-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-[(2-methoxyphenyl)methyl]quinoline-4-carboxamide is sourced from PubChem (CID 4185765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).