8-(2-fluorophenyl)-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide

C19H12FN3OS — CID 89033856

IUPAC8-(2-fluorophenyl)-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide
SMILESO=C(Nc1nccs1)c1ccc2cccc(-c3ccccc3F)c2n1
InChIInChI=1S/C19H12FN3OS/c20-15-7-2-1-5-13(15)14-6-3-4-12-8-9-16(22-17(12)14)18(24)23-19-21-10-11-25-19/h1-11H,(H,21,23,24)
InChIKeyXSKJQYUEYXQNCI-UHFFFAOYSA-N
MW349.39 g/mol
LogP4.75
Rot. Bonds3

About 8-(2-fluorophenyl)-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide

8-(2-fluorophenyl)-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide (PubChem CID 89033856) has the molecular formula C19H12FN3OS and a molecular weight of 349.39 g/mol. Its IUPAC name is 8-(2-fluorophenyl)-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide.

Molecular Properties

Compound Name8-(2-fluorophenyl)-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide
PubChem CID89033856
Molecular FormulaC19H12FN3OS
Molecular Weight349.39 g/mol
Exact Mass349.07
IUPAC Name8-(2-fluorophenyl)-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide
SMILESO=C(Nc1nccs1)c1ccc2cccc(-c3ccccc3F)c2n1
InChIInChI=1S/C19H12FN3OS/c20-15-7-2-1-5-13(15)14-6-3-4-12-8-9-16(22-17(12)14)18(24)23-19-21-10-11-25-19/h1-11H,(H,21,23,24)
InChIKeyXSKJQYUEYXQNCI-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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Frequently Asked Questions

What is the IUPAC name of 8-(2-fluorophenyl)-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide?
The IUPAC name of 8-(2-fluorophenyl)-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide (CID 89033856) is 8-(2-fluorophenyl)-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide.
What is the SMILES notation for 8-(2-fluorophenyl)-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide?
The canonical SMILES for 8-(2-fluorophenyl)-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide is O=C(Nc1nccs1)c1ccc2cccc(-c3ccccc3F)c2n1.
What is the InChIKey of 8-(2-fluorophenyl)-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide?
The InChIKey is XSKJQYUEYXQNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FN3OS/c20-15-7-2-1-5-13(15)14-6-3-4-12-8-9-16(22-17(12)14)18(24)23-19-21-10-11-25-19/h1-11H,(H,21,23,24).
What are the key properties of 8-(2-fluorophenyl)-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide?
8-(2-fluorophenyl)-N-(1,3-thiazol-2-yl)quinoline-2-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 8-(2-fluorophenyl)-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide is sourced from PubChem (CID 89033856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).