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

C15H7F6N3O2S — CID 14140520

IUPAC4-oxo-N-(1,3-thiazol-2-yl)-2,8-bis(trifluoromethyl)-1H-quinoline-3-carboxamide
SMILESO=C(Nc1nccs1)c1c(C(F)(F)F)[nH]c2c(C(F)(F)F)cccc2c1=O
InChIInChI=1S/C15H7F6N3O2S/c16-14(17,18)7-3-1-2-6-9(7)23-11(15(19,20)21)8(10(6)25)12(26)24-13-22-4-5-27-13/h1-5H,(H,23,25)(H,22,24,26)
InChIKeyONLZCSMVKPIWON-UHFFFAOYSA-N
MW407.30 g/mol
LogP4.27
Rot. Bonds2

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

4-oxo-N-(1,3-thiazol-2-yl)-2,8-bis(trifluoromethyl)-1H-quinoline-3-carboxamide (PubChem CID 14140520) has the molecular formula C15H7F6N3O2S and a molecular weight of 407.30 g/mol. Its IUPAC name is 4-oxo-N-(1,3-thiazol-2-yl)-2,8-bis(trifluoromethyl)-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name4-oxo-N-(1,3-thiazol-2-yl)-2,8-bis(trifluoromethyl)-1H-quinoline-3-carboxamide
PubChem CID14140520
Molecular FormulaC15H7F6N3O2S
Molecular Weight407.30 g/mol
Exact Mass407.02
IUPAC Name4-oxo-N-(1,3-thiazol-2-yl)-2,8-bis(trifluoromethyl)-1H-quinoline-3-carboxamide
SMILESO=C(Nc1nccs1)c1c(C(F)(F)F)[nH]c2c(C(F)(F)F)cccc2c1=O
InChIInChI=1S/C15H7F6N3O2S/c16-14(17,18)7-3-1-2-6-9(7)23-11(15(19,20)21)8(10(6)25)12(26)24-13-22-4-5-27-13/h1-5H,(H,23,25)(H,22,24,26)
InChIKeyONLZCSMVKPIWON-UHFFFAOYSA-N
XLogP4.27
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.30
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-(1,3-thiazol-2-yl)-2,8-bis(trifluoromethyl)-1H-quinoline-3-carboxamide?
The IUPAC name of 4-oxo-N-(1,3-thiazol-2-yl)-2,8-bis(trifluoromethyl)-1H-quinoline-3-carboxamide (CID 14140520) is 4-oxo-N-(1,3-thiazol-2-yl)-2,8-bis(trifluoromethyl)-1H-quinoline-3-carboxamide.
What is the SMILES notation for 4-oxo-N-(1,3-thiazol-2-yl)-2,8-bis(trifluoromethyl)-1H-quinoline-3-carboxamide?
The canonical SMILES for 4-oxo-N-(1,3-thiazol-2-yl)-2,8-bis(trifluoromethyl)-1H-quinoline-3-carboxamide is O=C(Nc1nccs1)c1c(C(F)(F)F)[nH]c2c(C(F)(F)F)cccc2c1=O.
What is the InChIKey of 4-oxo-N-(1,3-thiazol-2-yl)-2,8-bis(trifluoromethyl)-1H-quinoline-3-carboxamide?
The InChIKey is ONLZCSMVKPIWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7F6N3O2S/c16-14(17,18)7-3-1-2-6-9(7)23-11(15(19,20)21)8(10(6)25)12(26)24-13-22-4-5-27-13/h1-5H,(H,23,25)(H,22,24,26).
What are the key properties of 4-oxo-N-(1,3-thiazol-2-yl)-2,8-bis(trifluoromethyl)-1H-quinoline-3-carboxamide?
4-oxo-N-(1,3-thiazol-2-yl)-2,8-bis(trifluoromethyl)-1H-quinoline-3-carboxamide has a molecular weight of 407.30 g/mol, XLogP of 4.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-(1,3-thiazol-2-yl)-2,8-bis(trifluoromethyl)-1H-quinoline-3-carboxamide is sourced from PubChem (CID 14140520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).