1-[3-(2-fluorophenoxy)-2-hydroxypropyl]quinoxalin-2-one

C17H15FN2O3 — CID 42952052

IUPAC1-[3-(2-fluorophenoxy)-2-hydroxypropyl]quinoxalin-2-one
SMILESO=c1cnc2ccccc2n1CC(O)COc1ccccc1F
InChIInChI=1S/C17H15FN2O3/c18-13-5-1-4-8-16(13)23-11-12(21)10-20-15-7-3-2-6-14(15)19-9-17(20)22/h1-9,12,21H,10-11H2
InChIKeyWKEUHJFZLWRRTF-UHFFFAOYSA-N
MW314.32 g/mol
LogP1.98
Rot. Bonds5

About 1-[3-(2-fluorophenoxy)-2-hydroxypropyl]quinoxalin-2-one

1-[3-(2-fluorophenoxy)-2-hydroxypropyl]quinoxalin-2-one (PubChem CID 42952052) has the molecular formula C17H15FN2O3 and a molecular weight of 314.32 g/mol. Its IUPAC name is 1-[3-(2-fluorophenoxy)-2-hydroxypropyl]quinoxalin-2-one.

Molecular Properties

Compound Name1-[3-(2-fluorophenoxy)-2-hydroxypropyl]quinoxalin-2-one
PubChem CID42952052
Molecular FormulaC17H15FN2O3
Molecular Weight314.32 g/mol
Exact Mass314.11
IUPAC Name1-[3-(2-fluorophenoxy)-2-hydroxypropyl]quinoxalin-2-one
SMILESO=c1cnc2ccccc2n1CC(O)COc1ccccc1F
InChIInChI=1S/C17H15FN2O3/c18-13-5-1-4-8-16(13)23-11-12(21)10-20-15-7-3-2-6-14(15)19-9-17(20)22/h1-9,12,21H,10-11H2
InChIKeyWKEUHJFZLWRRTF-UHFFFAOYSA-N
XLogP1.98
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-fluorophenoxy)-3-[2-(oxan-4-yl)benzimidazol-1-yl]propan-2-ol;hydrochloride
CID 138960561
1-(fluoromethyl)quinoxalin-2-one
CID 140968709
1-[2-(4-fluorophenoxy)ethyl]quinoxalin-2-one
CID 2525579
4-[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-one
CID 35433102
1-(4,5-dihydroxypentyl)quinoxalin-2-one
CID 24776952
(2R)-1-(2-methoxyphenoxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol
CID 879417
N-(2,6-difluorophenyl)-2-(2-oxoquinoxalin-1-yl)acetamide
CID 8023290
N-(2-fluorophenyl)-2-(2-oxoquinoxalin-1-yl)acetamide
CID 8023095
(2S)-1-(2-ethylbenzimidazol-1-yl)-3-(4-fluorophenoxy)propan-2-ol
CID 34363876
3-(2-fluorophenoxy)-2-hydroxypropan-1-olate
CID 45496401
7-chloro-3-[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]quinazolin-4-one
CID 40895606
(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-(2-fluorophenoxy)propan-2-ol
CID 27044185

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-fluorophenoxy)-2-hydroxypropyl]quinoxalin-2-one?
The IUPAC name of 1-[3-(2-fluorophenoxy)-2-hydroxypropyl]quinoxalin-2-one (CID 42952052) is 1-[3-(2-fluorophenoxy)-2-hydroxypropyl]quinoxalin-2-one.
What is the SMILES notation for 1-[3-(2-fluorophenoxy)-2-hydroxypropyl]quinoxalin-2-one?
The canonical SMILES for 1-[3-(2-fluorophenoxy)-2-hydroxypropyl]quinoxalin-2-one is O=c1cnc2ccccc2n1CC(O)COc1ccccc1F.
What is the InChIKey of 1-[3-(2-fluorophenoxy)-2-hydroxypropyl]quinoxalin-2-one?
The InChIKey is WKEUHJFZLWRRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O3/c18-13-5-1-4-8-16(13)23-11-12(21)10-20-15-7-3-2-6-14(15)19-9-17(20)22/h1-9,12,21H,10-11H2.
What are the key properties of 1-[3-(2-fluorophenoxy)-2-hydroxypropyl]quinoxalin-2-one?
1-[3-(2-fluorophenoxy)-2-hydroxypropyl]quinoxalin-2-one has a molecular weight of 314.32 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-fluorophenoxy)-2-hydroxypropyl]quinoxalin-2-one is sourced from PubChem (CID 42952052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).