2-oxo-6-[3-(trifluoromethyl)phenyl]-1H-quinoline-3-carboxylic acid

C17H10F3NO3 — CID 91900847

IUPAC2-oxo-6-[3-(trifluoromethyl)phenyl]-1H-quinoline-3-carboxylic acid
SMILESO=C(O)c1cc2cc(-c3cccc(C(F)(F)F)c3)ccc2[nH]c1=O
InChIInChI=1S/C17H10F3NO3/c18-17(19,20)12-3-1-2-9(7-12)10-4-5-14-11(6-10)8-13(16(23)24)15(22)21-14/h1-8H,(H,21,22)(H,23,24)
InChIKeyRETWPBUQKFZQNX-UHFFFAOYSA-N
MW333.27 g/mol
LogP3.91
Rot. Bonds2

About 2-oxo-6-[3-(trifluoromethyl)phenyl]-1H-quinoline-3-carboxylic acid

2-oxo-6-[3-(trifluoromethyl)phenyl]-1H-quinoline-3-carboxylic acid (PubChem CID 91900847) has the molecular formula C17H10F3NO3 and a molecular weight of 333.27 g/mol. Its IUPAC name is 2-oxo-6-[3-(trifluoromethyl)phenyl]-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name2-oxo-6-[3-(trifluoromethyl)phenyl]-1H-quinoline-3-carboxylic acid
PubChem CID91900847
Molecular FormulaC17H10F3NO3
Molecular Weight333.27 g/mol
Exact Mass333.06
IUPAC Name2-oxo-6-[3-(trifluoromethyl)phenyl]-1H-quinoline-3-carboxylic acid
SMILESO=C(O)c1cc2cc(-c3cccc(C(F)(F)F)c3)ccc2[nH]c1=O
InChIInChI=1S/C17H10F3NO3/c18-17(19,20)12-3-1-2-9(7-12)10-4-5-14-11(6-10)8-13(16(23)24)15(22)21-14/h1-8H,(H,21,22)(H,23,24)
InChIKeyRETWPBUQKFZQNX-UHFFFAOYSA-N
XLogP3.91
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]benzoic acid
CID 87086730
3-acetyl-6-(trifluoromethyl)-1H-quinolin-2-one
CID 122377198
6-tert-butyl-2-oxo-1H-quinoline-3-carboxylic acid
CID 22690291
2-oxo-5-(trifluoromethyl)-1H-quinoline-3-carboxylic acid
CID 133054559
6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]-1H-quinolin-2-one
CID 171566011
2-methoxy-4-[3-(trifluoromethyl)phenyl]benzoic acid
CID 53227617
2-[2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]acetic acid
CID 68754879
4,5-difluoro-2-[3-(trifluoromethyl)phenyl]benzoic acid
CID 118812821
2-[[4-[3-(trifluoromethyl)phenyl]phenyl]carbamoyl]benzoic acid
CID 71086455
5-[3-(trifluoromethyl)phenyl]-2-trimethylsilyloxybenzoic acid
CID 167719114
phenyl-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone
CID 132564507
2-oxo-6-(trifluoromethyl)-1H-pyridine-3,5-dicarboxylic acid
CID 83401835

Frequently Asked Questions

What is the IUPAC name of 2-oxo-6-[3-(trifluoromethyl)phenyl]-1H-quinoline-3-carboxylic acid?
The IUPAC name of 2-oxo-6-[3-(trifluoromethyl)phenyl]-1H-quinoline-3-carboxylic acid (CID 91900847) is 2-oxo-6-[3-(trifluoromethyl)phenyl]-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 2-oxo-6-[3-(trifluoromethyl)phenyl]-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 2-oxo-6-[3-(trifluoromethyl)phenyl]-1H-quinoline-3-carboxylic acid is O=C(O)c1cc2cc(-c3cccc(C(F)(F)F)c3)ccc2[nH]c1=O.
What is the InChIKey of 2-oxo-6-[3-(trifluoromethyl)phenyl]-1H-quinoline-3-carboxylic acid?
The InChIKey is RETWPBUQKFZQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3NO3/c18-17(19,20)12-3-1-2-9(7-12)10-4-5-14-11(6-10)8-13(16(23)24)15(22)21-14/h1-8H,(H,21,22)(H,23,24).
What are the key properties of 2-oxo-6-[3-(trifluoromethyl)phenyl]-1H-quinoline-3-carboxylic acid?
2-oxo-6-[3-(trifluoromethyl)phenyl]-1H-quinoline-3-carboxylic acid has a molecular weight of 333.27 g/mol, XLogP of 3.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-6-[3-(trifluoromethyl)phenyl]-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 91900847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).