2-(hydroxymethyl)-4-oxo-N-(1,3-thiazol-2-yl)-8-(trifluoromethyl)-1H-quinoline-3-carboxamide

C15H10F3N3O3S — CID 13277154

IUPAC2-(hydroxymethyl)-4-oxo-N-(1,3-thiazol-2-yl)-8-(trifluoromethyl)-1H-quinoline-3-carboxamide
SMILESO=C(Nc1nccs1)c1c(CO)[nH]c2c(C(F)(F)F)cccc2c1=O
InChIInChI=1S/C15H10F3N3O3S/c16-15(17,18)8-3-1-2-7-11(8)20-9(6-22)10(12(7)23)13(24)21-14-19-4-5-25-14/h1-5,22H,6H2,(H,20,23)(H,19,21,24)
InChIKeyHBSLYOMIKZBNJK-UHFFFAOYSA-N
MW369.32 g/mol
LogP2.75
Rot. Bonds3

About 2-(hydroxymethyl)-4-oxo-N-(1,3-thiazol-2-yl)-8-(trifluoromethyl)-1H-quinoline-3-carboxamide

2-(hydroxymethyl)-4-oxo-N-(1,3-thiazol-2-yl)-8-(trifluoromethyl)-1H-quinoline-3-carboxamide (PubChem CID 13277154) has the molecular formula C15H10F3N3O3S and a molecular weight of 369.32 g/mol. Its IUPAC name is 2-(hydroxymethyl)-4-oxo-N-(1,3-thiazol-2-yl)-8-(trifluoromethyl)-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-4-oxo-N-(1,3-thiazol-2-yl)-8-(trifluoromethyl)-1H-quinoline-3-carboxamide
PubChem CID13277154
Molecular FormulaC15H10F3N3O3S
Molecular Weight369.32 g/mol
Exact Mass369.04
IUPAC Name2-(hydroxymethyl)-4-oxo-N-(1,3-thiazol-2-yl)-8-(trifluoromethyl)-1H-quinoline-3-carboxamide
SMILESO=C(Nc1nccs1)c1c(CO)[nH]c2c(C(F)(F)F)cccc2c1=O
InChIInChI=1S/C15H10F3N3O3S/c16-15(17,18)8-3-1-2-7-11(8)20-9(6-22)10(12(7)23)13(24)21-14-19-4-5-25-14/h1-5,22H,6H2,(H,20,23)(H,19,21,24)
InChIKeyHBSLYOMIKZBNJK-UHFFFAOYSA-N
XLogP2.75
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.32
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-4-oxo-N-(1,3-thiazol-2-yl)-8-(trifluoromethyl)-1H-quinoline-3-carboxamide?
The IUPAC name of 2-(hydroxymethyl)-4-oxo-N-(1,3-thiazol-2-yl)-8-(trifluoromethyl)-1H-quinoline-3-carboxamide (CID 13277154) is 2-(hydroxymethyl)-4-oxo-N-(1,3-thiazol-2-yl)-8-(trifluoromethyl)-1H-quinoline-3-carboxamide.
What is the SMILES notation for 2-(hydroxymethyl)-4-oxo-N-(1,3-thiazol-2-yl)-8-(trifluoromethyl)-1H-quinoline-3-carboxamide?
The canonical SMILES for 2-(hydroxymethyl)-4-oxo-N-(1,3-thiazol-2-yl)-8-(trifluoromethyl)-1H-quinoline-3-carboxamide is O=C(Nc1nccs1)c1c(CO)[nH]c2c(C(F)(F)F)cccc2c1=O.
What is the InChIKey of 2-(hydroxymethyl)-4-oxo-N-(1,3-thiazol-2-yl)-8-(trifluoromethyl)-1H-quinoline-3-carboxamide?
The InChIKey is HBSLYOMIKZBNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O3S/c16-15(17,18)8-3-1-2-7-11(8)20-9(6-22)10(12(7)23)13(24)21-14-19-4-5-25-14/h1-5,22H,6H2,(H,20,23)(H,19,21,24).
What are the key properties of 2-(hydroxymethyl)-4-oxo-N-(1,3-thiazol-2-yl)-8-(trifluoromethyl)-1H-quinoline-3-carboxamide?
2-(hydroxymethyl)-4-oxo-N-(1,3-thiazol-2-yl)-8-(trifluoromethyl)-1H-quinoline-3-carboxamide has a molecular weight of 369.32 g/mol, XLogP of 2.75, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-4-oxo-N-(1,3-thiazol-2-yl)-8-(trifluoromethyl)-1H-quinoline-3-carboxamide is sourced from PubChem (CID 13277154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).