3-oxo-2-[4-(trifluoromethyl)phenyl]-2,4-dihydro-1H-quinoline-5-carboxylic acid

C17H12F3NO3 — CID 151943334

IUPAC3-oxo-2-[4-(trifluoromethyl)phenyl]-2,4-dihydro-1H-quinoline-5-carboxylic acid
SMILESO=C(O)c1cccc2c1CC(=O)C(c1ccc(C(F)(F)F)cc1)N2
InChIInChI=1S/C17H12F3NO3/c18-17(19,20)10-6-4-9(5-7-10)15-14(22)8-12-11(16(23)24)2-1-3-13(12)21-15/h1-7,15,21H,8H2,(H,23,24)
InChIKeyTVDCWHJTZGBSDN-UHFFFAOYSA-N
MW335.28 g/mol
LogP3.68
Rot. Bonds2

About 3-oxo-2-[4-(trifluoromethyl)phenyl]-2,4-dihydro-1H-quinoline-5-carboxylic acid

3-oxo-2-[4-(trifluoromethyl)phenyl]-2,4-dihydro-1H-quinoline-5-carboxylic acid (PubChem CID 151943334) has the molecular formula C17H12F3NO3 and a molecular weight of 335.28 g/mol. Its IUPAC name is 3-oxo-2-[4-(trifluoromethyl)phenyl]-2,4-dihydro-1H-quinoline-5-carboxylic acid.

Molecular Properties

Compound Name3-oxo-2-[4-(trifluoromethyl)phenyl]-2,4-dihydro-1H-quinoline-5-carboxylic acid
PubChem CID151943334
Molecular FormulaC17H12F3NO3
Molecular Weight335.28 g/mol
Exact Mass335.08
IUPAC Name3-oxo-2-[4-(trifluoromethyl)phenyl]-2,4-dihydro-1H-quinoline-5-carboxylic acid
SMILESO=C(O)c1cccc2c1CC(=O)C(c1ccc(C(F)(F)F)cc1)N2
InChIInChI=1S/C17H12F3NO3/c18-17(19,20)10-6-4-9(5-7-10)15-14(22)8-12-11(16(23)24)2-1-3-13(12)21-15/h1-7,15,21H,8H2,(H,23,24)
InChIKeyTVDCWHJTZGBSDN-UHFFFAOYSA-N
XLogP3.68
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.28
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-oxo-2-[4-(trifluoromethyl)phenyl]-2,4-dihydro-1H-quinoline-5-carboxylic acid?
The IUPAC name of 3-oxo-2-[4-(trifluoromethyl)phenyl]-2,4-dihydro-1H-quinoline-5-carboxylic acid (CID 151943334) is 3-oxo-2-[4-(trifluoromethyl)phenyl]-2,4-dihydro-1H-quinoline-5-carboxylic acid.
What is the SMILES notation for 3-oxo-2-[4-(trifluoromethyl)phenyl]-2,4-dihydro-1H-quinoline-5-carboxylic acid?
The canonical SMILES for 3-oxo-2-[4-(trifluoromethyl)phenyl]-2,4-dihydro-1H-quinoline-5-carboxylic acid is O=C(O)c1cccc2c1CC(=O)C(c1ccc(C(F)(F)F)cc1)N2.
What is the InChIKey of 3-oxo-2-[4-(trifluoromethyl)phenyl]-2,4-dihydro-1H-quinoline-5-carboxylic acid?
The InChIKey is TVDCWHJTZGBSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3NO3/c18-17(19,20)10-6-4-9(5-7-10)15-14(22)8-12-11(16(23)24)2-1-3-13(12)21-15/h1-7,15,21H,8H2,(H,23,24).
What are the key properties of 3-oxo-2-[4-(trifluoromethyl)phenyl]-2,4-dihydro-1H-quinoline-5-carboxylic acid?
3-oxo-2-[4-(trifluoromethyl)phenyl]-2,4-dihydro-1H-quinoline-5-carboxylic acid has a molecular weight of 335.28 g/mol, XLogP of 3.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-2-[4-(trifluoromethyl)phenyl]-2,4-dihydro-1H-quinoline-5-carboxylic acid is sourced from PubChem (CID 151943334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).