2-(4-oxo-2,3-dihydro-1H-quinolin-2-yl)phenolate;hydrofluoride

C15H13FNO2- — CID 139262353

IUPAC2-(4-oxo-2,3-dihydro-1H-quinolin-2-yl)phenolate;hydrofluoride
SMILESF.O=C1CC(c2ccccc2[O-])Nc2ccccc21
InChIInChI=1S/C15H13NO2.FH/c17-14-8-4-2-6-11(14)13-9-15(18)10-5-1-3-7-12(10)16-13;/h1-8,13,16-17H,9H2;1H/p-1
InChIKeyXXVZEWVWJOPTKQ-UHFFFAOYSA-M
MW258.27 g/mol
LogP2.65
Rot. Bonds1

About 2-(4-oxo-2,3-dihydro-1H-quinolin-2-yl)phenolate;hydrofluoride

2-(4-oxo-2,3-dihydro-1H-quinolin-2-yl)phenolate;hydrofluoride (PubChem CID 139262353) has the molecular formula C15H13FNO2- and a molecular weight of 258.27 g/mol. Its IUPAC name is 2-(4-oxo-2,3-dihydro-1H-quinolin-2-yl)phenolate;hydrofluoride.

Molecular Properties

Compound Name2-(4-oxo-2,3-dihydro-1H-quinolin-2-yl)phenolate;hydrofluoride
PubChem CID139262353
Molecular FormulaC15H13FNO2-
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Name2-(4-oxo-2,3-dihydro-1H-quinolin-2-yl)phenolate;hydrofluoride
SMILESF.O=C1CC(c2ccccc2[O-])Nc2ccccc21
InChIInChI=1S/C15H13NO2.FH/c17-14-8-4-2-6-11(14)13-9-15(18)10-5-1-3-7-12(10)16-13;/h1-8,13,16-17H,9H2;1H/p-1
InChIKeyXXVZEWVWJOPTKQ-UHFFFAOYSA-M
XLogP2.65
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-oxo-2,3-dihydro-1H-quinolin-2-yl)phenolate;hydrofluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-fluorophenyl)-2,3-dihydro-1H-quinolin-4-one
CID 11218695
(2S)-2-(2-propan-2-yloxyphenyl)-2,3-dihydro-1H-quinolin-4-one
CID 124848607
CID 56964004
CID 56964004
(2S)-2-(4-fluorophenyl)-2,3-dihydro-1H-quinolin-4-one
CID 86326370
2-(4-hydroxyphenyl)-2,3-dihydro-1H-quinolin-4-one
CID 78099399
(2R)-2-(4-chlorophenyl)-2,3-dihydro-1H-quinolin-4-one
CID 86312786
4b,5,10b,11-tetrahydrochrysene-6,12-dione
CID 11265495
2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2,3-dihydro-1H-quinolin-4-one
CID 110538830
2-(3-chloro-4-hydroxyphenyl)-2,3-dihydro-1H-quinolin-4-one
CID 110539671
2-(trifluoromethyl)-2,3-dihydro-1H-quinolin-4-one
CID 12990251
2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-2,3-dihydro-1H-quinolin-4-one
CID 102470522
3-bromo-2,3-dihydroinden-1-one
CID 11745912

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-2,3-dihydro-1H-quinolin-2-yl)phenolate;hydrofluoride?
The IUPAC name of 2-(4-oxo-2,3-dihydro-1H-quinolin-2-yl)phenolate;hydrofluoride (CID 139262353) is 2-(4-oxo-2,3-dihydro-1H-quinolin-2-yl)phenolate;hydrofluoride.
What is the SMILES notation for 2-(4-oxo-2,3-dihydro-1H-quinolin-2-yl)phenolate;hydrofluoride?
The canonical SMILES for 2-(4-oxo-2,3-dihydro-1H-quinolin-2-yl)phenolate;hydrofluoride is F.O=C1CC(c2ccccc2[O-])Nc2ccccc21.
What is the InChIKey of 2-(4-oxo-2,3-dihydro-1H-quinolin-2-yl)phenolate;hydrofluoride?
The InChIKey is XXVZEWVWJOPTKQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H13NO2.FH/c17-14-8-4-2-6-11(14)13-9-15(18)10-5-1-3-7-12(10)16-13;/h1-8,13,16-17H,9H2;1H/p-1.
What are the key properties of 2-(4-oxo-2,3-dihydro-1H-quinolin-2-yl)phenolate;hydrofluoride?
2-(4-oxo-2,3-dihydro-1H-quinolin-2-yl)phenolate;hydrofluoride has a molecular weight of 258.27 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-2,3-dihydro-1H-quinolin-2-yl)phenolate;hydrofluoride is sourced from PubChem (CID 139262353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).