4-oxo-3-[3-(trifluoromethyl)phenyl]quinolizine-1-carboxylic acid

C17H10F3NO3 — CID 19020453

IUPAC4-oxo-3-[3-(trifluoromethyl)phenyl]quinolizine-1-carboxylic acid
SMILESO=C(O)c1cc(-c2cccc(C(F)(F)F)c2)c(=O)n2ccccc12
InChIInChI=1S/C17H10F3NO3/c18-17(19,20)11-5-3-4-10(8-11)12-9-13(16(23)24)14-6-1-2-7-21(14)15(12)22/h1-9H,(H,23,24)
InChIKeyIJNAYEKGUNFRMU-UHFFFAOYSA-N
MW333.27 g/mol
LogP3.68
Rot. Bonds2

About 4-oxo-3-[3-(trifluoromethyl)phenyl]quinolizine-1-carboxylic acid

4-oxo-3-[3-(trifluoromethyl)phenyl]quinolizine-1-carboxylic acid (PubChem CID 19020453) has the molecular formula C17H10F3NO3 and a molecular weight of 333.27 g/mol. Its IUPAC name is 4-oxo-3-[3-(trifluoromethyl)phenyl]quinolizine-1-carboxylic acid.

Molecular Properties

Compound Name4-oxo-3-[3-(trifluoromethyl)phenyl]quinolizine-1-carboxylic acid
PubChem CID19020453
Molecular FormulaC17H10F3NO3
Molecular Weight333.27 g/mol
Exact Mass333.06
IUPAC Name4-oxo-3-[3-(trifluoromethyl)phenyl]quinolizine-1-carboxylic acid
SMILESO=C(O)c1cc(-c2cccc(C(F)(F)F)c2)c(=O)n2ccccc12
InChIInChI=1S/C17H10F3NO3/c18-17(19,20)11-5-3-4-10(8-11)12-9-13(16(23)24)14-6-1-2-7-21(14)15(12)22/h1-9H,(H,23,24)
InChIKeyIJNAYEKGUNFRMU-UHFFFAOYSA-N
XLogP3.68
TPSA58.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-difluoro-2-[3-(trifluoromethyl)phenyl]benzoic acid
CID 118812821
2-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxylic acid
CID 166784470
1-ethyl-4-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxylic acid
CID 117223527
2-methyl-3-[3-(trifluoromethyl)phenyl]benzoic acid
CID 53227606
1-methyl-3-[3-(trifluoromethyl)phenyl]pyrrole-2-carboxylic acid
CID 117222908
2-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]benzoic acid
CID 87086730
4-fluoro-3-[3-(trifluoromethyl)phenyl]benzoic acid
CID 52984137
3-[[2-[3-(trifluoromethyl)phenyl]benzoyl]amino]benzoic acid
CID 151250225
3-benzoyl-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one
CID 13201825
2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]benzamide
CID 173180452
1-propan-2-yl-3-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid
CID 61264904
(4-pyrimidin-2-ylpiperazin-1-yl)-[1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridin-3-yl]methanone
CID 134794746

Frequently Asked Questions

What is the IUPAC name of 4-oxo-3-[3-(trifluoromethyl)phenyl]quinolizine-1-carboxylic acid?
The IUPAC name of 4-oxo-3-[3-(trifluoromethyl)phenyl]quinolizine-1-carboxylic acid (CID 19020453) is 4-oxo-3-[3-(trifluoromethyl)phenyl]quinolizine-1-carboxylic acid.
What is the SMILES notation for 4-oxo-3-[3-(trifluoromethyl)phenyl]quinolizine-1-carboxylic acid?
The canonical SMILES for 4-oxo-3-[3-(trifluoromethyl)phenyl]quinolizine-1-carboxylic acid is O=C(O)c1cc(-c2cccc(C(F)(F)F)c2)c(=O)n2ccccc12.
What is the InChIKey of 4-oxo-3-[3-(trifluoromethyl)phenyl]quinolizine-1-carboxylic acid?
The InChIKey is IJNAYEKGUNFRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3NO3/c18-17(19,20)11-5-3-4-10(8-11)12-9-13(16(23)24)14-6-1-2-7-21(14)15(12)22/h1-9H,(H,23,24).
What are the key properties of 4-oxo-3-[3-(trifluoromethyl)phenyl]quinolizine-1-carboxylic acid?
4-oxo-3-[3-(trifluoromethyl)phenyl]quinolizine-1-carboxylic acid has a molecular weight of 333.27 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-3-[3-(trifluoromethyl)phenyl]quinolizine-1-carboxylic acid is sourced from PubChem (CID 19020453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).