6-fluoro-8-[(2-fluorophenyl)-hydroxymethyl]-3,4-dihydro-1H-quinolin-2-one

C16H13F2NO2 — CID 82174281

IUPAC6-fluoro-8-[(2-fluorophenyl)-hydroxymethyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(F)cc(C(O)c3ccccc3F)c2N1
InChIInChI=1S/C16H13F2NO2/c17-10-7-9-5-6-14(20)19-15(9)12(8-10)16(21)11-3-1-2-4-13(11)18/h1-4,7-8,16,21H,5-6H2,(H,19,20)
InChIKeyHNBLAAFGCUNOJX-UHFFFAOYSA-N
MW289.28 g/mol
LogP2.93
Rot. Bonds2

About 6-fluoro-8-[(2-fluorophenyl)-hydroxymethyl]-3,4-dihydro-1H-quinolin-2-one

6-fluoro-8-[(2-fluorophenyl)-hydroxymethyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 82174281) has the molecular formula C16H13F2NO2 and a molecular weight of 289.28 g/mol. Its IUPAC name is 6-fluoro-8-[(2-fluorophenyl)-hydroxymethyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-fluoro-8-[(2-fluorophenyl)-hydroxymethyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID82174281
Molecular FormulaC16H13F2NO2
Molecular Weight289.28 g/mol
Exact Mass289.09
IUPAC Name6-fluoro-8-[(2-fluorophenyl)-hydroxymethyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(F)cc(C(O)c3ccccc3F)c2N1
InChIInChI=1S/C16H13F2NO2/c17-10-7-9-5-6-14(20)19-15(9)12(8-10)16(21)11-3-1-2-4-13(11)18/h1-4,7-8,16,21H,5-6H2,(H,19,20)
InChIKeyHNBLAAFGCUNOJX-UHFFFAOYSA-N
XLogP2.93
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-[(2-fluorophenyl)-hydroxymethyl]-8-methyl-3,4-dihydro-1H-quinolin-2-one
CID 82173975
6-fluoro-8-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one
CID 82174262
8-[(2-chlorophenyl)-hydroxymethyl]-6-methyl-3,4-dihydro-1H-quinolin-2-one
CID 82174159
6-chloro-8-[hydroxy-(2-methylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 82174233
6-chloro-8-[hydroxy(phenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 82174232
5-fluoro-7-[hydroxy(thiophen-2-yl)methyl]-1,3-dihydroindol-2-one
CID 82173214
bis(2-fluorophenyl)methanol
CID 18424663
6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-8-carboxylic acid
CID 82104959
8-[furan-2-yl(hydroxy)methyl]-6-methyl-3,4-dihydro-1H-quinolin-2-one
CID 82174150
6-[chloro-(2-fluorophenyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 61086278
8-chloro-6-[hydroxy(phenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 82174090
6-fluoro-8-nitro-3,4-dihydro-1H-quinolin-2-one
CID 51138330

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-8-[(2-fluorophenyl)-hydroxymethyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-fluoro-8-[(2-fluorophenyl)-hydroxymethyl]-3,4-dihydro-1H-quinolin-2-one (CID 82174281) is 6-fluoro-8-[(2-fluorophenyl)-hydroxymethyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-fluoro-8-[(2-fluorophenyl)-hydroxymethyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-fluoro-8-[(2-fluorophenyl)-hydroxymethyl]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(F)cc(C(O)c3ccccc3F)c2N1.
What is the InChIKey of 6-fluoro-8-[(2-fluorophenyl)-hydroxymethyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is HNBLAAFGCUNOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO2/c17-10-7-9-5-6-14(20)19-15(9)12(8-10)16(21)11-3-1-2-4-13(11)18/h1-4,7-8,16,21H,5-6H2,(H,19,20).
What are the key properties of 6-fluoro-8-[(2-fluorophenyl)-hydroxymethyl]-3,4-dihydro-1H-quinolin-2-one?
6-fluoro-8-[(2-fluorophenyl)-hydroxymethyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 289.28 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-8-[(2-fluorophenyl)-hydroxymethyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 82174281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).