(3S)-3-[(4-fluorophenyl)methyl]-1-methyl-3,4-dihydroquinoxalin-2-one

C16H15FN2O — CID 121274986

IUPAC(3S)-3-[(4-fluorophenyl)methyl]-1-methyl-3,4-dihydroquinoxalin-2-one
SMILESCN1C(=O)[C@H](Cc2ccc(F)cc2)Nc2ccccc21
InChIInChI=1S/C16H15FN2O/c1-19-15-5-3-2-4-13(15)18-14(16(19)20)10-11-6-8-12(17)9-7-11/h2-9,14,18H,10H2,1H3/t14-/m0/s1
InChIKeyNASCIXPPUVRLAT-AWEZNQCLSA-N
MW270.31 g/mol
LogP2.83
Rot. Bonds2

About (3S)-3-[(4-fluorophenyl)methyl]-1-methyl-3,4-dihydroquinoxalin-2-one

(3S)-3-[(4-fluorophenyl)methyl]-1-methyl-3,4-dihydroquinoxalin-2-one (PubChem CID 121274986) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is (3S)-3-[(4-fluorophenyl)methyl]-1-methyl-3,4-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name(3S)-3-[(4-fluorophenyl)methyl]-1-methyl-3,4-dihydroquinoxalin-2-one
PubChem CID121274986
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name(3S)-3-[(4-fluorophenyl)methyl]-1-methyl-3,4-dihydroquinoxalin-2-one
SMILESCN1C(=O)[C@H](Cc2ccc(F)cc2)Nc2ccccc21
InChIInChI=1S/C16H15FN2O/c1-19-15-5-3-2-4-13(15)18-14(16(19)20)10-11-6-8-12(17)9-7-11/h2-9,14,18H,10H2,1H3/t14-/m0/s1
InChIKeyNASCIXPPUVRLAT-AWEZNQCLSA-N
XLogP2.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methyl-3-oxo-1,2-dihydroquinoxalin-2-yl)acetic acid
CID 22064901
5-benzyl-3-(2-fluorophenyl)imidazolidine-2,4-dione
CID 43402824
3-benzyl-1-methyl-3H-indol-2-one
CID 11207126
(5S)-5-[(4-hydroxyphenyl)methyl]-3-methyl-2-sulfanylideneimidazolidin-4-one
CID 854033
2-(4-fluorophenyl)-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]acetamide
CID 110404498
5-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)imidazolidine-2,4-dione
CID 16660931
1-methyl-3-(2-methylpyrazol-3-yl)-3,4-dihydroquinoxalin-2-one
CID 15807359
(3S,6S,9R,12S,15S,18R)-3,6,9,12,15,18-hexabenzyl-1,10-dimethyl-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone
CID 10855003
3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 16661082
3-benzyl-8-fluoro-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
CID 54300452
2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 2090381
7-chloro-1-methyl-3-[(3-phenylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 11696796

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(4-fluorophenyl)methyl]-1-methyl-3,4-dihydroquinoxalin-2-one?
The IUPAC name of (3S)-3-[(4-fluorophenyl)methyl]-1-methyl-3,4-dihydroquinoxalin-2-one (CID 121274986) is (3S)-3-[(4-fluorophenyl)methyl]-1-methyl-3,4-dihydroquinoxalin-2-one.
What is the SMILES notation for (3S)-3-[(4-fluorophenyl)methyl]-1-methyl-3,4-dihydroquinoxalin-2-one?
The canonical SMILES for (3S)-3-[(4-fluorophenyl)methyl]-1-methyl-3,4-dihydroquinoxalin-2-one is CN1C(=O)[C@H](Cc2ccc(F)cc2)Nc2ccccc21.
What is the InChIKey of (3S)-3-[(4-fluorophenyl)methyl]-1-methyl-3,4-dihydroquinoxalin-2-one?
The InChIKey is NASCIXPPUVRLAT-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H15FN2O/c1-19-15-5-3-2-4-13(15)18-14(16(19)20)10-11-6-8-12(17)9-7-11/h2-9,14,18H,10H2,1H3/t14-/m0/s1.
What are the key properties of (3S)-3-[(4-fluorophenyl)methyl]-1-methyl-3,4-dihydroquinoxalin-2-one?
(3S)-3-[(4-fluorophenyl)methyl]-1-methyl-3,4-dihydroquinoxalin-2-one has a molecular weight of 270.31 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(4-fluorophenyl)methyl]-1-methyl-3,4-dihydroquinoxalin-2-one is sourced from PubChem (CID 121274986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).