4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-1,3-dihydroquinoxalin-2-one

C16H15FN2O2 — CID 63370746

IUPAC4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-1,3-dihydroquinoxalin-2-one
SMILESC[C@@H](O)c1c(F)cccc1N1CC(=O)Nc2ccccc21
InChIInChI=1S/C16H15FN2O2/c1-10(20)16-11(17)5-4-8-14(16)19-9-15(21)18-12-6-2-3-7-13(12)19/h2-8,10,20H,9H2,1H3,(H,18,21)/t10-/m1/s1
InChIKeyQABNMMWCXYQXJS-SNVBAGLBSA-N
MW286.31 g/mol
LogP2.97
Rot. Bonds2

About 4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-1,3-dihydroquinoxalin-2-one

4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 63370746) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is 4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-1,3-dihydroquinoxalin-2-one
PubChem CID63370746
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-1,3-dihydroquinoxalin-2-one
SMILESC[C@@H](O)c1c(F)cccc1N1CC(=O)Nc2ccccc21
InChIInChI=1S/C16H15FN2O2/c1-10(20)16-11(17)5-4-8-14(16)19-9-15(21)18-12-6-2-3-7-13(12)19/h2-8,10,20H,9H2,1H3,(H,18,21)/t10-/m1/s1
InChIKeyQABNMMWCXYQXJS-SNVBAGLBSA-N
XLogP2.97
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3,3-dimethylpiperazine-2,6-dione
CID 66075751
4-[5-bromo-2-(1-hydroxyethyl)phenyl]-1,3-dihydroquinoxalin-2-one
CID 82957257
4-[2-bromo-4-(1-hydroxyethyl)phenyl]-1,3-dihydroquinoxalin-2-one
CID 62909025
4-(2-propanoylphenyl)-1,3-dihydroquinoxalin-2-one
CID 115994549
1-[3-fluoro-2-(1-hydroxyethyl)phenyl]-1,4-diazepan-5-one
CID 55133341
1-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-1,4-diazepan-5-one
CID 78941119
4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3,3-dimethylpiperazin-2-one
CID 78946539
4-(2,3-difluorobenzoyl)-1,3-dihydroquinoxalin-2-one
CID 60620753
4-[3-fluoro-2-(1-hydroxyethyl)phenyl]-3-methylpiperazin-2-one
CID 55216699
4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3-methylpiperazin-2-one
CID 63606645
(1R)-1-(2-fluoro-6-pyrrolidin-1-ylphenyl)ethanol
CID 63371551
4-(1-phenylethyl)-1,3-dihydroquinoxalin-2-one
CID 117006573

Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-1,3-dihydroquinoxalin-2-one (CID 63370746) is 4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-1,3-dihydroquinoxalin-2-one is C[C@@H](O)c1c(F)cccc1N1CC(=O)Nc2ccccc21.
What is the InChIKey of 4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is QABNMMWCXYQXJS-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H15FN2O2/c1-10(20)16-11(17)5-4-8-14(16)19-9-15(21)18-12-6-2-3-7-13(12)19/h2-8,10,20H,9H2,1H3,(H,18,21)/t10-/m1/s1.
What are the key properties of 4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-1,3-dihydroquinoxalin-2-one?
4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 286.31 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 63370746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).