2-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide

C19H12FN3OS — CID 2322249

IUPAC2-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
SMILESO=C(Nc1nccs1)c1cc(-c2ccc(F)cc2)nc2ccccc12
InChIInChI=1S/C19H12FN3OS/c20-13-7-5-12(6-8-13)17-11-15(14-3-1-2-4-16(14)22-17)18(24)23-19-21-9-10-25-19/h1-11H,(H,21,23,24)
InChIKeyAFQCBYGLKOCGAH-UHFFFAOYSA-N
MW349.39 g/mol
LogP4.75
Rot. Bonds3

About 2-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide

2-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide (PubChem CID 2322249) has the molecular formula C19H12FN3OS and a molecular weight of 349.39 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
PubChem CID2322249
Molecular FormulaC19H12FN3OS
Molecular Weight349.39 g/mol
Exact Mass349.07
IUPAC Name2-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
SMILESO=C(Nc1nccs1)c1cc(-c2ccc(F)cc2)nc2ccccc12
InChIInChI=1S/C19H12FN3OS/c20-13-7-5-12(6-8-13)17-11-15(14-3-1-2-4-16(14)22-17)18(24)23-19-21-9-10-25-19/h1-11H,(H,21,23,24)
InChIKeyAFQCBYGLKOCGAH-UHFFFAOYSA-N
XLogP4.75
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 16547328
2-(4-fluorophenyl)-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 18206028
N-(4-chlorophenyl)-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 3131336
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-phenylquinoline-4-carboxamide
CID 3252476
methyl 4-[[4-[4-(1,3-thiazol-2-ylcarbamoyl)quinolin-2-yl]pyridin-1-ium-1-yl]methyl]benzoate
CID 2321427
2-[(2S)-4-[(4-fluorophenyl)methyl]morpholin-2-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 92638333
[2-(4-fluorophenyl)quinolin-4-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 18287541
N-(2-acetamido-1,3-benzothiazol-5-yl)-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 46328665
1-[2-(4-methylphenyl)quinoline-4-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 55670365
2-(4-chlorophenyl)-N-(2,4-difluorophenyl)quinoline-4-carboxamide
CID 2165659
2-(4-fluorophenyl)-N-(1-pyridin-4-ylethyl)quinoline-4-carboxamide
CID 112761308
2-(4-chlorophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 2163412

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide (CID 2322249) is 2-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide is O=C(Nc1nccs1)c1cc(-c2ccc(F)cc2)nc2ccccc12.
What is the InChIKey of 2-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide?
The InChIKey is AFQCBYGLKOCGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FN3OS/c20-13-7-5-12(6-8-13)17-11-15(14-3-1-2-4-16(14)22-17)18(24)23-19-21-9-10-25-19/h1-11H,(H,21,23,24).
What are the key properties of 2-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide?
2-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 2322249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).