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

C15H7F6N3O3 — CID 14140555

IUPACN-(1,3-oxazol-2-yl)-4-oxo-2,8-bis(trifluoromethyl)-1H-quinoline-3-carboxamide
SMILESO=C(Nc1ncco1)c1c(C(F)(F)F)[nH]c2c(C(F)(F)F)cccc2c1=O
InChIInChI=1S/C15H7F6N3O3/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)
InChIKeyDUVGMSIEPUANGI-UHFFFAOYSA-N
MW391.23 g/mol
LogP3.81
Rot. Bonds2

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

N-(1,3-oxazol-2-yl)-4-oxo-2,8-bis(trifluoromethyl)-1H-quinoline-3-carboxamide (PubChem CID 14140555) has the molecular formula C15H7F6N3O3 and a molecular weight of 391.23 g/mol. Its IUPAC name is N-(1,3-oxazol-2-yl)-4-oxo-2,8-bis(trifluoromethyl)-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-oxazol-2-yl)-4-oxo-2,8-bis(trifluoromethyl)-1H-quinoline-3-carboxamide
PubChem CID14140555
Molecular FormulaC15H7F6N3O3
Molecular Weight391.23 g/mol
Exact Mass391.04
IUPAC NameN-(1,3-oxazol-2-yl)-4-oxo-2,8-bis(trifluoromethyl)-1H-quinoline-3-carboxamide
SMILESO=C(Nc1ncco1)c1c(C(F)(F)F)[nH]c2c(C(F)(F)F)cccc2c1=O
InChIInChI=1S/C15H7F6N3O3/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)
InChIKeyDUVGMSIEPUANGI-UHFFFAOYSA-N
XLogP3.81
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.23
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-oxazol-2-yl)-4-oxo-2,8-bis(trifluoromethyl)-1H-quinoline-3-carboxamide?
The IUPAC name of N-(1,3-oxazol-2-yl)-4-oxo-2,8-bis(trifluoromethyl)-1H-quinoline-3-carboxamide (CID 14140555) is N-(1,3-oxazol-2-yl)-4-oxo-2,8-bis(trifluoromethyl)-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-(1,3-oxazol-2-yl)-4-oxo-2,8-bis(trifluoromethyl)-1H-quinoline-3-carboxamide?
The canonical SMILES for N-(1,3-oxazol-2-yl)-4-oxo-2,8-bis(trifluoromethyl)-1H-quinoline-3-carboxamide is O=C(Nc1ncco1)c1c(C(F)(F)F)[nH]c2c(C(F)(F)F)cccc2c1=O.
What is the InChIKey of N-(1,3-oxazol-2-yl)-4-oxo-2,8-bis(trifluoromethyl)-1H-quinoline-3-carboxamide?
The InChIKey is DUVGMSIEPUANGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7F6N3O3/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 N-(1,3-oxazol-2-yl)-4-oxo-2,8-bis(trifluoromethyl)-1H-quinoline-3-carboxamide?
N-(1,3-oxazol-2-yl)-4-oxo-2,8-bis(trifluoromethyl)-1H-quinoline-3-carboxamide has a molecular weight of 391.23 g/mol, XLogP of 3.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-oxazol-2-yl)-4-oxo-2,8-bis(trifluoromethyl)-1H-quinoline-3-carboxamide is sourced from PubChem (CID 14140555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).