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

C16H12F3N3O3 — CID 14140548

IUPAC2-ethyl-N-(1,3-oxazol-2-yl)-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide
SMILESCCc1[nH]c2c(C(F)(F)F)cccc2c(=O)c1C(=O)Nc1ncco1
InChIInChI=1S/C16H12F3N3O3/c1-2-10-11(14(24)22-15-20-6-7-25-15)13(23)8-4-3-5-9(12(8)21-10)16(17,18)19/h3-7H,2H2,1H3,(H,21,23)(H,20,22,24)
InChIKeyFYGFNJICGHSJIB-UHFFFAOYSA-N
MW351.28 g/mol
LogP3.35
Rot. Bonds3

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

2-ethyl-N-(1,3-oxazol-2-yl)-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide (PubChem CID 14140548) has the molecular formula C16H12F3N3O3 and a molecular weight of 351.28 g/mol. Its IUPAC name is 2-ethyl-N-(1,3-oxazol-2-yl)-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(1,3-oxazol-2-yl)-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide
PubChem CID14140548
Molecular FormulaC16H12F3N3O3
Molecular Weight351.28 g/mol
Exact Mass351.08
IUPAC Name2-ethyl-N-(1,3-oxazol-2-yl)-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide
SMILESCCc1[nH]c2c(C(F)(F)F)cccc2c(=O)c1C(=O)Nc1ncco1
InChIInChI=1S/C16H12F3N3O3/c1-2-10-11(14(24)22-15-20-6-7-25-15)13(23)8-4-3-5-9(12(8)21-10)16(17,18)19/h3-7H,2H2,1H3,(H,21,23)(H,20,22,24)
InChIKeyFYGFNJICGHSJIB-UHFFFAOYSA-N
XLogP3.35
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.28
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(1,3-oxazol-2-yl)-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide?
The IUPAC name of 2-ethyl-N-(1,3-oxazol-2-yl)-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide (CID 14140548) is 2-ethyl-N-(1,3-oxazol-2-yl)-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide.
What is the SMILES notation for 2-ethyl-N-(1,3-oxazol-2-yl)-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide?
The canonical SMILES for 2-ethyl-N-(1,3-oxazol-2-yl)-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide is CCc1[nH]c2c(C(F)(F)F)cccc2c(=O)c1C(=O)Nc1ncco1.
What is the InChIKey of 2-ethyl-N-(1,3-oxazol-2-yl)-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide?
The InChIKey is FYGFNJICGHSJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O3/c1-2-10-11(14(24)22-15-20-6-7-25-15)13(23)8-4-3-5-9(12(8)21-10)16(17,18)19/h3-7H,2H2,1H3,(H,21,23)(H,20,22,24).
What are the key properties of 2-ethyl-N-(1,3-oxazol-2-yl)-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide?
2-ethyl-N-(1,3-oxazol-2-yl)-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide has a molecular weight of 351.28 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(1,3-oxazol-2-yl)-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide is sourced from PubChem (CID 14140548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).